data_1pet_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 1pet _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 ' 326' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.294 0.569 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 10.7 m-85 -112.45 130.06 56.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.258 -0.901 . . . . 0.0 109.305 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.567 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 96.4 m-85 -123.37 154.04 39.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 0.0 109.556 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.463 HG23 HG23 ' B' ' 329' ' ' THR . 0.3 OUTLIER -108.02 134.55 50.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.354 -0.841 . . . . 0.0 109.5 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -116.32 95.13 4.93 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.2 OUTLIER -89.92 112.57 23.99 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.212 -0.93 . . . . 0.0 109.009 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.462 HG12 ' OD1' ' B' ' 345' ' ' ASN . 3.2 mt -113.04 149.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.343 -0.848 . . . . 0.0 109.982 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.401 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 1.9 ttp85 -93.71 148.8 21.78 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.64 -147.92 18.91 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 18.9 ttt180 -158.85 -49.27 0.06 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -1.132 . . . . 0.0 109.368 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.29 -48.62 49.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 0.0 109.431 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.466 ' HD2' ' CD1' ' B' ' 348' ' ' LEU . 23.7 mtm-85 -53.62 -43.36 68.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.176 -0.952 . . . . 0.0 109.234 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.564 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 79.2 t80 -57.0 -35.55 69.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.228 -0.92 . . . . 0.0 109.106 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 21.9 mt-10 -66.08 -39.31 89.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 108.984 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.459 ' O ' ' CD2' ' A' ' 344' ' ' LEU . 9.4 mtm -54.78 -57.49 11.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 0.0 109.398 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' B' ' 344' ' ' LEU . 9.7 m-85 -58.26 -36.03 72.65 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.672 0.749 . . . . 0.0 109.521 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -35.71 76.76 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.416 ' HG2' ' HE3' ' C' ' 340' ' ' MET . 1.1 tp10 -69.0 -47.77 64.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.0 109.104 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' D' ' 344' ' ' LEU . 1.9 mm? -58.05 -35.15 70.91 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.259 -0.901 . . . . 0.0 108.775 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.459 ' OD1' HG12 ' B' ' 332' ' ' ILE . 7.0 m-20 -81.05 -19.64 43.37 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.329 -0.857 . . . . 0.0 109.264 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.4 -39.12 71.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.415 -0.803 . . . . 0.0 109.05 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' D' ' 347' ' ' ALA . . . -74.98 -45.84 39.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.339 -0.851 . . . . 0.0 108.922 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.473 HD22 ' HB1' ' D' ' 347' ' ' ALA . 69.3 mt -53.44 -48.14 69.06 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -32.14 71.29 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.536 ' CD2' ' HB2' ' D' ' 351' ' ' LYS . 0.2 OUTLIER -65.63 -30.65 71.38 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.546 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 29.7 tttm -61.52 -45.89 92.29 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -22.14 66.43 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.555 -0.716 . . . . 0.0 109.633 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 10.6 m-85 -112.61 130.18 56.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.56 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 95.8 m-85 -123.64 153.99 39.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.189 -0.944 . . . . 0.0 109.753 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.463 HG23 HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -106.84 140.1 40.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.186 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.564 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.9 OUTLIER -121.38 86.59 2.6 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.294 -0.879 . . . . 0.0 108.978 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -82.3 113.23 19.96 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.277 -0.89 . . . . 0.0 109.68 -179.587 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.459 HG12 ' OD1' ' A' ' 345' ' ' ASN . 3.2 mt -114.21 148.81 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.252 -0.905 . . . . 0.0 109.699 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.421 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 2.1 ttp85 -92.95 149.54 21.17 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.293 -0.879 . . . . 0.0 109.056 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.28 -147.94 18.78 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 18.8 ttt180 -158.35 -48.7 0.06 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.262 -1.14 . . . . 0.0 109.493 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -71.28 -48.21 52.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.277 -0.89 . . . . 0.0 109.503 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.441 ' HD2' HD11 ' A' ' 348' ' ' LEU . 21.8 mtm-85 -53.91 -43.58 69.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.181 -0.949 . . . . 0.0 109.406 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.571 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 79.3 t80 -57.03 -34.92 68.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.912 . . . . 0.0 109.121 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 18.7 mt-10 -66.59 -40.03 88.71 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.258 -0.901 . . . . 0.0 109.003 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.449 ' HE3' ' HG2' ' D' ' 343' ' ' GLU . 11.9 mtm -55.39 -58.18 8.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 108.833 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' A' ' 344' ' ' LEU . 12.3 m-85 -57.42 -34.26 68.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.47 -0.768 . . . . 0.0 109.266 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -35.0 77.94 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.389 -0.82 . . . . 0.0 109.344 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.424 ' HG2' ' HE3' ' D' ' 340' ' ' MET . 1.1 tp10 -69.02 -48.2 63.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 109.144 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.535 ' HB3' ' CD1' ' C' ' 344' ' ' LEU . 1.9 mm? -58.69 -33.06 69.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.188 -0.945 . . . . 0.0 108.703 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.462 ' OD1' HG12 ' A' ' 332' ' ' ILE . 7.8 m-20 -82.36 -20.5 37.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.447 -0.783 . . . . 0.0 108.994 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.85 -39.14 73.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.38 -0.825 . . . . 0.0 108.921 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.465 ' HB1' HD22 ' C' ' 348' ' ' LEU . . . -74.09 -47.52 35.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 108.849 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 337' ' ' ARG . 66.1 mt -52.57 -47.56 66.76 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -34.04 73.9 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.535 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.2 OUTLIER -63.38 -31.0 72.04 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 30.0 tttm -61.73 -44.87 96.09 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -21.07 65.81 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.411 0 O-C-N 121.421 -0.8 . . . . 0.0 109.346 179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.318 0.58 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.517 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 10.6 m-85 -112.51 130.3 56.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.574 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 96.7 m-85 -123.34 155.0 38.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.189 -0.945 . . . . 0.0 109.68 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.408 HG23 HG23 ' D' ' 329' ' ' THR . 0.2 OUTLIER -108.39 136.31 48.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.892 . . . . 0.0 109.572 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.9 OUTLIER -117.83 88.73 2.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.917 . . . . 0.0 109.301 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -84.17 112.91 20.68 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.276 -0.89 . . . . 0.0 109.577 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.464 HG12 ' OD1' ' D' ' 345' ' ' ASN . 3.2 mt -113.88 149.44 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.91 . . . . 0.0 109.768 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.503 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 2.2 ttp85 -93.47 149.36 21.29 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.293 -0.88 . . . . 0.0 109.193 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.28 -147.4 18.77 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 18.9 ttt180 -158.76 -48.67 0.06 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -1.198 . . . . 0.0 109.512 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -71.24 -48.47 50.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.226 -0.921 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.452 ' HD2' HD11 ' D' ' 348' ' ' LEU . 22.0 mtm-85 -53.89 -43.05 69.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 109.426 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 79.8 t80 -57.41 -35.27 69.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.249 -0.907 . . . . 0.0 109.121 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 18.9 mt-10 -66.15 -39.78 90.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.32 -0.863 . . . . 0.0 108.992 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.426 ' O ' ' CD2' ' C' ' 344' ' ' LEU . 11.6 mtm -55.44 -57.63 11.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.235 -0.916 . . . . 0.0 108.764 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' D' ' 344' ' ' LEU . 12.3 m-85 -57.81 -33.76 68.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.499 -0.75 . . . . 0.0 109.426 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.53 77.77 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.429 -0.795 . . . . 0.0 109.408 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.52 -48.19 61.32 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.22 -0.925 . . . . 0.0 109.014 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.535 ' CD1' ' HB3' ' B' ' 344' ' ' LEU . 1.8 mm? -58.61 -33.06 69.6 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 108.753 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.46 ' OD1' HG12 ' D' ' 332' ' ' ILE . 6.9 m-20 -82.77 -20.37 36.0 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 109.036 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -71.52 -38.59 71.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.387 -0.821 . . . . 0.0 108.884 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.45 ' HB1' HD22 ' B' ' 348' ' ' LEU . . . -74.66 -45.84 41.98 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.408 -0.807 . . . . 0.0 108.872 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.469 HD21 ' HD3' ' D' ' 337' ' ' ARG . 63.6 mt -54.45 -47.15 73.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.137 -0.977 . . . . 0.0 108.394 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.83 -34.48 74.61 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.2 OUTLIER -62.73 -31.2 72.09 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.535 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 29.9 tttm -61.39 -44.74 96.64 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -20.36 65.51 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.445 0 O-C-N 121.502 -0.749 . . . . 0.0 109.259 179.807 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.301 0.572 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.503 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 10.9 m-85 -112.71 130.13 56.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 109.451 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.588 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 96.8 m-85 -123.18 154.57 38.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 0.0 109.599 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.408 HG23 HG23 ' C' ' 329' ' ' THR . 0.2 OUTLIER -108.12 136.16 48.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.507 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.9 OUTLIER -117.7 88.76 2.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.866 . . . . 0.0 109.294 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -84.11 113.02 20.75 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.898 . . . . 0.0 109.524 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.46 HG12 ' OD1' ' C' ' 345' ' ' ASN . 3.2 mt -113.92 149.57 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.236 -0.915 . . . . 0.0 109.683 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 2.2 ttp85 -93.59 149.25 21.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.378 -0.826 . . . . 0.0 109.253 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.38 -147.13 18.78 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 18.6 ttt180 -158.66 -49.05 0.06 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.179 -1.189 . . . . 0.0 109.462 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -70.91 -48.73 52.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.257 -0.902 . . . . 0.0 109.442 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.469 ' HD3' HD21 ' C' ' 348' ' ' LEU . 21.9 mtm-85 -53.71 -43.17 68.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.394 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.578 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 79.7 t80 -57.32 -35.29 69.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -0.939 . . . . 0.0 109.105 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 18.8 mt-10 -65.96 -40.32 91.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.32 -0.863 . . . . 0.0 108.936 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.424 ' HE3' ' HG2' ' B' ' 343' ' ' GLU . 11.4 mtm -55.02 -57.66 10.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 0.0 108.873 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 12.2 m-85 -57.78 -33.67 68.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.425 -0.797 . . . . 0.0 109.419 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -34.71 78.18 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.423 -0.798 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.449 ' HG2' ' HE3' ' B' ' 340' ' ' MET . 1.1 tp10 -69.19 -48.19 62.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.184 -0.948 . . . . 0.0 109.01 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.559 ' CD1' ' HB3' ' A' ' 344' ' ' LEU . 1.8 mm? -58.7 -33.18 69.89 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.302 -0.874 . . . . 0.0 108.846 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.464 ' OD1' HG12 ' C' ' 332' ' ' ILE . 7.1 m-20 -82.59 -20.19 36.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.419 -0.801 . . . . 0.0 109.006 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -71.39 -38.84 71.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.445 -0.784 . . . . 0.0 108.96 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 347' ' ' ALA . . . -74.21 -47.33 36.18 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.469 HD22 ' HB1' ' A' ' 347' ' ' ALA . 64.0 mt -52.94 -47.25 68.19 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -34.44 74.95 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.546 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.2 OUTLIER -62.46 -31.83 72.61 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.245 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 30.1 tttm -61.07 -45.28 95.38 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -20.5 65.95 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.813 . . . . 0.0 109.282 179.803 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -108.11 141.72 39.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.345 -0.847 . . . . 0.0 109.585 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.499 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 14.3 m-85 -139.47 148.25 42.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.348 -0.845 . . . . 0.0 109.131 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.536 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -109.41 136.98 47.95 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 109.958 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.583 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -118.91 96.13 5.12 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.45 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 76.2 mt-30 -88.59 115.57 26.21 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.177 -0.952 . . . . 0.0 109.177 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mt -119.5 150.79 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.441 -0.787 . . . . 0.0 109.746 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -95.25 158.54 15.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.322 -0.861 . . . . 0.0 109.15 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 106.9 -127.12 8.71 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 19.8 ttt180 178.53 -49.13 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.273 -1.134 . . . . 0.0 109.268 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -55.82 8.69 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.281 -0.887 . . . . 0.0 109.458 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.7 -37.3 50.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.115 -0.99 . . . . 0.0 109.058 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 60.2 t80 -60.23 -47.1 87.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.256 -0.903 . . . . 0.0 109.377 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.8 -33.37 75.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.225 -0.922 . . . . 0.0 109.403 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.489 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 3.3 mtp -56.15 -55.42 33.24 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.962 0.887 . . . . 0.0 109.555 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.587 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 15.9 m-85 -59.55 -37.14 77.62 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.853 0.835 . . . . 0.0 108.915 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.514 ' HA ' ' ND2' ' A' ' 345' ' ' ASN . 4.1 ttt180 -50.48 -37.09 36.72 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 2.0 tp10 -72.92 -54.34 8.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.397 -0.814 . . . . 0.0 110.084 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.521 ' HB2' ' CE1' ' B' ' 341' ' ' PHE . 1.8 mm? -50.78 -60.39 3.11 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.897 -1.127 . . . . 0.0 109.289 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.514 ' ND2' ' HA ' ' A' ' 342' ' ' ARG . 0.8 OUTLIER -58.34 -23.48 56.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.049 -1.032 . . . . 0.0 109.381 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 343' ' ' GLU . 2.3 mt-10 -65.48 -43.88 88.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.171 -0.956 . . . . 0.0 109.7 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.478 ' HA ' HD21 ' A' ' 350' ' ' LEU . . . -72.87 -47.17 48.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.114 -0.991 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.465 HD21 ' HB1' ' D' ' 347' ' ' ALA . 84.4 mt -50.67 -45.87 58.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.145 -0.972 . . . . 0.0 108.563 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -62.94 -34.6 77.82 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.536 ' CD2' ' HB2' ' D' ' 351' ' ' LYS . 0.1 OUTLIER -67.67 -22.4 65.3 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.354 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.543 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 3.6 ttpp -68.91 -42.86 76.29 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -38.98 93.17 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 120.049 -0.661 . . . . 0.0 109.433 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.147 -0.971 . . . . 0.0 109.631 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.46 141.44 43.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.185 -0.947 . . . . 0.0 109.399 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 14.3 m-85 -139.65 147.59 41.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.923 . . . . 0.0 109.54 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.536 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -107.15 144.28 34.12 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.227 -0.921 . . . . 0.0 109.47 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -125.99 86.01 2.47 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 78.7 mt-30 -79.91 116.49 20.08 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 110.146 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.22 152.03 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.317 -0.864 . . . . 0.0 109.253 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -96.74 158.6 15.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 0.0 109.168 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 106.65 -126.92 8.66 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 20.1 ttt180 178.71 -49.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -1.119 . . . . 0.0 109.315 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -55.16 11.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 0.0 109.492 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -38.65 58.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 109.286 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.583 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 63.8 t80 -58.71 -48.42 81.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.286 -0.884 . . . . 0.0 109.295 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -62.28 -33.13 74.04 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.312 -0.867 . . . . 0.0 109.297 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.492 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 3.0 mtp -57.13 -55.85 29.36 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.339 -0.85 . . . . 0.0 108.971 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.587 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 21.6 m-85 -59.6 -34.66 73.03 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.377 -0.827 . . . . 0.0 108.897 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.506 ' HA ' ' ND2' ' B' ' 345' ' ' ASN . 4.3 ttt180 -52.96 -33.71 52.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.483 -0.761 . . . . 0.0 109.139 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.0 tp10 -75.82 -53.77 7.95 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 0.0 110.141 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 341' ' ' PHE . 1.7 mm? -51.17 -59.29 4.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.95 -1.094 . . . . 0.0 109.14 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.506 ' ND2' ' HA ' ' B' ' 342' ' ' ARG . 0.7 OUTLIER -59.11 -23.02 61.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.173 -0.954 . . . . 0.0 109.153 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 2.1 mt-10 -66.86 -43.89 82.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 0.0 109.393 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.474 ' HA ' HD21 ' B' ' 350' ' ' LEU . . . -72.08 -48.64 42.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.182 -0.949 . . . . 0.0 109.36 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.469 HD21 ' HB1' ' C' ' 347' ' ' ALA . 84.8 mt -49.72 -46.38 50.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 109.005 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.89 -35.98 81.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.315 -0.866 . . . . 0.0 108.674 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.1 OUTLIER -65.27 -24.06 67.21 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.298 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.543 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 3.6 ttpp -67.83 -42.05 82.07 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -38.11 89.87 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.444 -0.785 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.469 0 O-C-N 121.305 -0.872 . . . . 0.0 109.461 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.337 0.589 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.59 141.25 44.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.175 -0.953 . . . . 0.0 109.508 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 14.3 m-85 -138.93 148.37 43.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.46 HG21 HG21 ' D' ' 329' ' ' THR . 0.3 OUTLIER -108.94 139.53 43.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.18 -0.95 . . . . 0.0 109.771 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -121.69 88.54 2.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.339 -0.85 . . . . 0.0 108.887 179.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.447 ' HG2' HG22 ' D' ' 329' ' ' THR . 77.4 mt-30 -82.01 116.55 21.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.221 -0.924 . . . . 0.0 109.813 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.2 152.98 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 109.238 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.37 157.94 15.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 109.322 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 106.7 -126.98 8.68 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 20.2 ttt180 179.08 -49.1 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.17 -1.194 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.2 -55.46 10.55 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 109.452 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.11 -38.57 57.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.17 -0.956 . . . . 0.0 109.201 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 62.2 t80 -58.79 -48.5 81.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.245 -0.91 . . . . 0.0 109.361 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 12.0 mt-10 -61.92 -33.18 73.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.213 -0.929 . . . . 0.0 109.261 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.489 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 3.1 mtp -57.02 -55.23 37.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.312 -0.868 . . . . 0.0 108.946 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.531 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 22.6 m-85 -60.1 -34.29 73.29 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.305 -0.872 . . . . 0.0 108.869 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.495 ' HA ' ' ND2' ' C' ' 345' ' ' ASN . 3.4 ttt180 -53.19 -32.93 50.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.38 -0.825 . . . . 0.0 109.29 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.0 tp10 -76.55 -53.75 7.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.359 -0.838 . . . . 0.0 110.076 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.532 ' HB2' ' CE1' ' D' ' 341' ' ' PHE . 1.7 mm? -51.3 -59.66 3.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.907 -1.121 . . . . 0.0 109.172 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.495 ' ND2' ' HA ' ' C' ' 342' ' ' ARG . 0.8 OUTLIER -59.36 -22.34 61.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.134 -0.979 . . . . 0.0 109.272 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' C' ' 343' ' ' GLU . 2.1 mt-10 -67.57 -44.1 79.03 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.287 -0.883 . . . . 0.0 109.325 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.471 ' HA ' HD21 ' C' ' 350' ' ' LEU . . . -72.13 -46.0 58.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.27 -0.894 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.427 HD21 ' HB1' ' B' ' 347' ' ' ALA . 84.5 mt -52.69 -46.02 67.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.032 -1.043 . . . . 0.0 108.972 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.68 -35.94 81.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.322 -0.861 . . . . 0.0 108.733 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.543 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -65.5 -23.72 66.96 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.422 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 3.7 ttpp -68.11 -41.69 81.41 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -37.64 88.31 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.487 -0.758 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.0 109.595 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.33 141.27 43.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -0.871 . . . . 0.0 109.393 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 14.2 m-85 -138.89 148.26 43.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.0 109.408 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.46 HG21 HG21 ' C' ' 329' ' ' THR . 0.3 OUTLIER -108.84 139.61 43.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -0.938 . . . . 0.0 109.834 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -121.79 88.47 2.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.314 -0.866 . . . . 0.0 108.911 179.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.455 ' HG2' HG22 ' C' ' 329' ' ' THR . 77.5 mt-30 -81.87 116.43 21.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.29 -0.882 . . . . 0.0 109.789 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.95 152.86 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.273 -0.892 . . . . 0.0 109.426 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.19 157.82 15.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.142 -0.974 . . . . 0.0 109.505 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 106.63 -126.91 8.66 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 19.9 ttt180 179.41 -49.15 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.222 -1.164 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.24 -55.6 10.05 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 0.0 109.433 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -38.37 56.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.167 -0.958 . . . . 0.0 109.219 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.568 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 62.0 t80 -58.97 -48.59 80.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.27 -0.894 . . . . 0.0 109.323 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 11.8 mt-10 -61.82 -33.14 73.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -0.935 . . . . 0.0 109.172 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.492 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.1 mtp -57.17 -55.32 36.29 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.362 -0.836 . . . . 0.0 109.001 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 22.1 m-85 -59.92 -34.25 72.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.368 -0.833 . . . . 0.0 108.915 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.494 ' HA ' ' ND2' ' D' ' 345' ' ' ASN . 3.3 ttt180 -53.26 -32.84 50.48 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.334 -0.854 . . . . 0.0 109.303 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.0 tp10 -76.62 -53.63 7.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.341 -0.849 . . . . 0.0 110.073 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.519 ' HB2' ' CE1' ' C' ' 341' ' ' PHE . 1.5 mm? -51.46 -59.39 4.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.94 -1.1 . . . . 0.0 109.137 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.494 ' ND2' ' HA ' ' D' ' 342' ' ' ARG . 0.8 OUTLIER -59.52 -22.49 61.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.086 -1.009 . . . . 0.0 109.301 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' D' ' 343' ' ' GLU . 2.1 mt-10 -67.23 -43.92 80.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.305 -0.872 . . . . 0.0 109.35 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.477 ' HA ' HD21 ' D' ' 350' ' ' LEU . . . -71.81 -48.38 46.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.212 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' D' ' 348' ' ' LEU . 84.6 mt -50.18 -46.75 54.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.922 . . . . 0.0 109.05 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.37 -36.22 81.58 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.543 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -65.03 -24.32 67.45 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 3.8 ttpp -68.0 -41.66 81.92 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -37.5 87.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.422 -0.799 . . . . 0.0 109.274 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.376 -0.827 . . . . 0.0 109.579 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.577 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 5.4 m-85 -99.79 109.16 21.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.291 -0.881 . . . . 0.0 109.127 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.58 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 33.9 m-85 -108.8 162.76 13.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -0.933 . . . . 0.0 109.11 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.507 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.3 OUTLIER -124.83 138.01 54.28 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.185 -0.947 . . . . 0.0 109.967 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.0 OUTLIER -117.94 95.66 5.01 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.244 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.5 mt-30 -88.93 114.22 25.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.179 -0.951 . . . . 0.0 109.104 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 2.6 mp -110.76 128.35 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.402 -0.811 . . . . 0.0 109.535 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.569 ' HG2' ' CZ ' ' B' ' 327' ' ' TYR . 8.5 mtp180 -90.61 97.42 11.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.422 -0.799 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.06 -137.11 4.41 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.27 -51.03 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.261 -1.141 . . . . 0.0 109.298 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.17 -51.68 29.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.151 -0.968 . . . . 0.0 109.289 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.455 ' HD3' HD23 ' B' ' 348' ' ' LEU . 5.8 mtm180 -60.29 -36.63 78.29 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.222 -0.924 . . . . 0.0 108.817 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 88.5 t80 -63.27 -40.96 98.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.334 -0.854 . . . . 0.0 108.836 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.59 -34.25 77.41 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 108.78 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.478 ' O ' ' CD2' ' A' ' 344' ' ' LEU . 15.2 mtp -55.98 -56.57 19.09 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.869 0.843 . . . . 0.0 109.203 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 8.7 m-85 -59.86 -34.16 72.76 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.882 0.848 . . . . 0.0 109.211 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 0.0 OUTLIER -55.96 -39.99 72.56 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.488 0.661 . . . . 0.0 109.272 179.76 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.455 ' HB3' ' HE2' ' C' ' 340' ' ' MET . 0.4 OUTLIER -71.15 -47.64 56.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.364 -0.835 . . . . 0.0 109.772 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.55 ' HB3' ' CD1' ' D' ' 344' ' ' LEU . 1.7 mm? -54.43 -60.64 3.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.94 . . . . 0.0 109.679 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.47 ' HA ' HD13 ' A' ' 348' ' ' LEU . 2.0 p30 -62.4 -19.93 63.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.164 -0.96 . . . . 0.0 109.771 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 7.2 tt0 -68.55 -47.91 65.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.128 -0.983 . . . . 0.0 109.639 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.468 ' HA ' HD21 ' A' ' 350' ' ' LEU . . . -69.37 -44.46 71.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.116 -0.99 . . . . 0.0 109.716 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.532 ' CD2' ' HB1' ' D' ' 347' ' ' ALA . 25.5 mt -54.19 -49.15 70.02 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.51 -31.06 69.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' D' ' 350' ' ' LEU . 0.1 OUTLIER -69.11 -30.22 68.46 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.532 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 3.9 ttmt -58.37 -43.58 88.48 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.76 -23.81 60.87 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.812 -0.555 . . . . 0.0 109.526 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.297 -0.877 . . . . 0.0 110.17 -179.699 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.317 0.58 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.569 ' CZ ' ' HG2' ' A' ' 333' ' ' ARG . 5.2 m-85 -100.06 106.92 18.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 33.7 m-85 -107.55 161.33 14.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.122 -0.986 . . . . 0.0 109.458 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.507 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -122.39 144.65 48.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.19 -0.944 . . . . 0.0 109.634 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.0 OUTLIER -124.39 87.03 2.65 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.335 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 3.0 mt-30 -80.82 115.2 20.19 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 110.073 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.59 128.07 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.383 -0.823 . . . . 0.0 109.09 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 8.6 mtp180 -90.6 96.98 10.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 109.434 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.58 -137.0 4.34 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.29 -51.15 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -1.157 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.96 -51.05 35.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.86 . . . . 0.0 109.332 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' B' ' 340' ' ' MET . 6.2 mtm180 -61.15 -36.9 81.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.196 -0.94 . . . . 0.0 108.967 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 88.7 t80 -62.75 -41.4 99.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 0.0 108.947 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 2.0 mt-10 -63.28 -35.16 79.44 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.28 -0.887 . . . . 0.0 108.646 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.464 ' O ' ' CD2' ' B' ' 344' ' ' LEU . 17.1 mtp -55.95 -57.34 12.51 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 12.8 m-85 -59.49 -31.09 69.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.452 -0.78 . . . . 0.0 109.004 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.0 OUTLIER -59.39 -38.18 79.87 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.31 -0.869 . . . . 0.0 109.5 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.459 ' HB3' ' HE2' ' D' ' 340' ' ' MET . 0.4 OUTLIER -72.21 -47.57 49.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.356 -0.84 . . . . 0.0 109.719 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.531 ' HB3' ' CD1' ' C' ' 344' ' ' LEU . 1.7 mm? -54.4 -61.24 2.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.16 -0.963 . . . . 0.0 109.451 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' B' ' 345' ' ' ASN . 1.5 p30 -61.37 -19.6 62.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 109.8 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 7.5 tt0 -70.15 -48.24 58.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 0.0 109.537 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.487 ' HB1' ' CD2' ' C' ' 348' ' ' LEU . . . -68.21 -45.52 73.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.202 -0.936 . . . . 0.0 109.434 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.523 ' CD2' ' HB1' ' C' ' 347' ' ' ALA . 25.7 mt -53.58 -49.82 66.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 108.831 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.62 -34.08 70.76 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.543 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.2 OUTLIER -65.11 -32.55 74.31 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.365 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.535 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 3.9 ttmt -56.86 -42.08 79.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -74.87 -21.74 59.07 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.431 -0.793 . . . . 0.0 109.373 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 109.728 -179.849 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.302 0.572 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.561 ' CZ ' ' HG2' ' D' ' 333' ' ' ARG . 5.3 m-85 -99.69 107.09 19.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -0.879 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.556 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 33.6 m-85 -107.28 162.34 13.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 109.444 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.455 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.3 OUTLIER -124.13 140.93 52.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.162 -0.961 . . . . 0.0 109.922 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' D' ' 330' ' ' LEU . 0.0 OUTLIER -121.22 87.59 2.78 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.337 -0.852 . . . . 0.0 108.74 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.1 mt-30 -81.09 115.77 20.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.252 -0.905 . . . . 0.0 109.97 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -112.23 128.71 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 0.0 109.257 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.572 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 8.6 mtp180 -90.93 97.23 11.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.543 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.01 -137.04 4.38 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.02 -51.33 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.312 -1.111 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.72 -51.41 34.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.178 -0.951 . . . . 0.0 109.246 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' C' ' 340' ' ' MET . 6.1 mtm180 -60.9 -36.6 79.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.193 -0.942 . . . . 0.0 108.865 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 88.5 t80 -62.89 -42.07 99.65 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.354 -0.841 . . . . 0.0 108.913 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 2.0 mt-10 -62.63 -35.07 78.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.263 -0.898 . . . . 0.0 108.651 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.482 ' HE1' HD23 ' A' ' 344' ' ' LEU . 17.9 mtp -56.07 -56.88 15.49 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.553 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 12.8 m-85 -59.79 -31.28 69.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.0 OUTLIER -59.19 -38.09 79.01 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.341 -0.85 . . . . 0.0 109.466 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -47.17 51.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.233 -0.917 . . . . 0.0 109.694 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.531 ' CD1' ' HB3' ' B' ' 344' ' ' LEU . 1.7 mm? -54.7 -61.26 2.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.057 -1.027 . . . . 0.0 109.494 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.445 ' OD1' ' C ' ' C' ' 345' ' ' ASN . 1.9 p30 -62.07 -18.9 62.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -0.97 . . . . 0.0 109.859 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 7.7 tt0 -70.51 -48.0 57.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.071 -1.018 . . . . 0.0 109.334 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.523 ' HB1' ' CD2' ' B' ' 348' ' ' LEU . . . -68.43 -44.88 73.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.487 ' CD2' ' HB1' ' B' ' 347' ' ' ALA . 26.5 mt -54.34 -50.05 68.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 108.914 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.26 -33.91 69.92 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.294 -0.879 . . . . 0.0 108.759 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.535 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.2 OUTLIER -65.16 -32.91 74.83 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.407 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.543 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 3.9 ttmt -56.37 -42.06 77.2 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -75.04 -21.44 59.04 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.796 . . . . 0.0 109.391 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.697 -179.892 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.311 0.577 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.572 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 5.4 m-85 -100.05 106.9 18.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 109.297 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.562 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 33.3 m-85 -107.1 162.27 14.01 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.159 -0.963 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.455 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.3 OUTLIER -124.07 140.93 52.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.185 -0.947 . . . . 0.0 109.904 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' C' ' 330' ' ' LEU . 0.0 OUTLIER -121.1 87.66 2.79 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.404 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.2 mt-30 -81.13 115.71 20.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.358 -0.839 . . . . 0.0 109.908 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -112.09 128.38 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.409 -0.807 . . . . 0.0 109.255 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.561 ' HG2' ' CZ ' ' C' ' 327' ' ' TYR . 8.6 mtp180 -90.74 97.48 11.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.272 -0.892 . . . . 0.0 109.63 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.83 -137.19 4.47 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.77 -51.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -1.113 . . . . 0.0 109.308 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.53 -51.5 35.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.244 -0.91 . . . . 0.0 109.289 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' D' ' 340' ' ' MET . 6.1 mtm180 -60.84 -36.65 79.65 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.116 -0.99 . . . . 0.0 108.866 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 88.1 t80 -62.98 -41.79 99.66 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.365 -0.835 . . . . 0.0 108.902 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.79 -35.21 79.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.303 -0.873 . . . . 0.0 108.652 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.459 ' HE2' ' HB3' ' B' ' 343' ' ' GLU . 17.7 mtp -55.91 -57.32 12.56 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.553 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 13.1 m-85 -59.44 -31.09 68.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.489 -0.757 . . . . 0.0 109.003 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.0 OUTLIER -59.36 -37.99 79.28 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.34 -0.85 . . . . 0.0 109.427 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.457 ' HB3' ' HE2' ' B' ' 340' ' ' MET . 0.4 OUTLIER -72.39 -47.64 47.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.332 -0.855 . . . . 0.0 109.625 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.55 ' CD1' ' HB3' ' A' ' 344' ' ' LEU . 1.4 mm? -54.24 -61.49 2.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.0 109.514 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.448 ' HA ' HD13 ' D' ' 348' ' ' LEU . 1.8 p30 -61.72 -18.79 61.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.159 -0.963 . . . . 0.0 110.002 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 7.6 tt0 -70.35 -48.19 57.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.081 -1.012 . . . . 0.0 109.357 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.532 ' HB1' ' CD2' ' A' ' 348' ' ' LEU . . . -67.99 -45.92 72.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.264 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' D' ' 345' ' ' ASN . 26.9 mt -53.39 -50.07 65.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 108.952 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.56 -33.93 70.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 108.649 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.537 ' CD1' HD13 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -65.15 -32.74 74.59 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.31 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 3.9 ttmt -56.37 -42.32 77.64 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -74.89 -21.56 59.16 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.615 -0.678 . . . . 0.0 109.359 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.348 -0.845 . . . . 0.0 109.771 -179.811 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.33 109.85 20.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.264 -0.898 . . . . 0.0 109.363 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -106.01 142.54 35.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.901 . . . . 0.0 109.377 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.47 HG23 HG23 ' B' ' 329' ' ' THR . 0.3 OUTLIER -99.86 132.32 45.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -0.943 . . . . 0.0 109.589 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -112.43 94.61 5.01 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.453 ' HG2' HG22 ' B' ' 329' ' ' THR . 37.7 mt-30 -88.43 122.19 31.64 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.161 -0.962 . . . . 0.0 108.935 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.4 125.39 70.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.325 -0.859 . . . . 0.0 109.602 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 39.5 ttt-85 -85.74 100.04 11.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 109.148 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.39 -132.06 2.23 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -179.07 -49.82 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -1.12 . . . . 0.0 108.86 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.25 -44.15 63.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.48 ' HD2' HD11 ' B' ' 348' ' ' LEU . 17.0 mtm180 -67.16 -38.32 85.28 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.542 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 83.1 t80 -65.95 -32.68 74.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 0.0 108.804 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.23 -40.04 78.18 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.29 -0.881 . . . . 0.0 108.696 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.523 ' CE ' HD23 ' C' ' 344' ' ' LEU . 6.8 mtm -59.41 -51.59 69.24 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.784 0.802 . . . . 0.0 109.323 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.576 ' CE1' HD13 ' C' ' 344' ' ' LEU . 5.5 m-85 -62.86 -32.48 73.72 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 121.738 0.78 . . . . 0.0 109.218 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.421 ' HG3' ' CE2' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -65.35 -30.07 70.86 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.36 -50.94 10.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.189 -0.945 . . . . 0.0 109.361 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.583 HD13 ' CE1' ' C' ' 341' ' ' PHE . 1.0 OUTLIER -55.39 -38.44 68.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.161 -0.962 . . . . 0.0 108.722 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.538 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 3.3 m-20 -76.54 -24.24 53.62 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.489 -0.757 . . . . 0.0 109.291 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -70.27 -38.05 75.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.202 -0.936 . . . . 0.0 109.285 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.468 ' HA ' HD21 ' A' ' 350' ' ' LEU . . . -72.21 -44.63 62.65 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.121 -0.987 . . . . 0.0 109.323 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.47 HD11 ' HD2' ' B' ' 337' ' ' ARG . 29.8 mt -56.96 -49.59 75.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 108.586 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.49 -29.78 66.51 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.536 ' CD1' HD13 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.1 -31.29 67.59 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.464 ' HA ' HD23 ' D' ' 350' ' ' LEU . 10.7 ttmt -57.88 -39.49 77.96 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -76.78 -25.76 53.73 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.381 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.179 -0.95 . . . . 0.0 109.976 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.24 109.31 18.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.31 -0.869 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -105.9 142.34 35.77 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.206 -0.934 . . . . 0.0 109.639 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.47 HG23 HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -98.47 139.25 34.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 0.0 109.218 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.542 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.8 OUTLIER -119.35 83.46 2.04 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.427 ' HG2' HG22 ' A' ' 329' ' ' THR . 36.7 mt-30 -78.35 123.3 26.83 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.282 -0.887 . . . . 0.0 109.91 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.29 125.72 69.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.32 -0.862 . . . . 0.0 108.899 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -86.4 99.71 11.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.161 -0.962 . . . . 0.0 109.186 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.15 -131.32 2.06 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -179.2 -50.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.42 -1.047 . . . . 0.0 108.926 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.5 -43.59 66.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.376 -0.828 . . . . 0.0 108.83 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.47 ' HD2' HD11 ' A' ' 348' ' ' LEU . 18.0 mtm180 -67.86 -39.02 83.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.281 -0.887 . . . . 0.0 108.695 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 83.6 t80 -65.38 -32.48 74.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 108.795 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.21 -41.28 77.29 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.481 ' O ' HD21 ' B' ' 344' ' ' LEU . 9.0 mtm -59.79 -51.69 68.68 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.41 -0.806 . . . . 0.0 108.906 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.578 ' CE1' HD13 ' D' ' 344' ' ' LEU . 4.6 m-85 -62.94 -29.15 70.58 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.42 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -68.55 -29.85 68.51 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.01 -50.43 12.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.45 -0.781 . . . . 0.0 109.344 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' D' ' 341' ' ' PHE . 1.1 mm? -56.34 -36.63 68.98 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.134 -0.979 . . . . 0.0 108.499 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.496 ' ND2' ' CE2' ' A' ' 341' ' ' PHE . 3.7 m-20 -78.36 -23.63 46.8 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.429 -0.794 . . . . 0.0 109.262 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -70.82 -37.81 73.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.292 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.457 ' HA ' HD21 ' B' ' 350' ' ' LEU . . . -72.12 -44.02 63.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.832 . . . . 0.0 109.202 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.48 HD11 ' HD2' ' A' ' 337' ' ' ARG . 29.1 mt -58.34 -49.57 76.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.128 -0.983 . . . . 0.0 108.829 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.43 -31.87 68.15 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.8 -33.19 74.33 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.344 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.461 ' HA ' HD23 ' C' ' 350' ' ' LEU . 10.7 ttmt -56.7 -37.87 71.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.429 -0.795 . . . . 0.0 108.949 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -79.12 -24.04 43.66 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.41 -0.806 . . . . 0.0 109.203 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.899 . . . . 0.0 109.511 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.14 109.32 18.96 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -0.883 . . . . 0.0 109.333 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -105.64 142.86 34.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.532 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.46 HG23 HG23 ' D' ' 329' ' ' THR . 0.2 OUTLIER -99.67 134.45 42.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 0.0 109.697 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.543 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -114.78 86.27 2.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.305 -0.872 . . . . 0.0 108.907 179.569 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.445 ' HG2' HG22 ' D' ' 329' ' ' THR . 35.7 mt-30 -80.55 122.97 27.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.385 -0.822 . . . . 0.0 109.776 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -125.48 125.31 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.417 -0.802 . . . . 0.0 109.275 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -85.63 100.04 11.69 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.163 -0.961 . . . . 0.0 109.425 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.49 -131.95 2.26 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -178.39 -50.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.372 -1.075 . . . . 0.0 108.968 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.43 -44.2 65.32 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.243 -0.911 . . . . 0.0 108.747 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.477 ' HD2' HD11 ' D' ' 348' ' ' LEU . 17.1 mtm180 -67.43 -38.67 84.93 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.534 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 83.4 t80 -65.55 -33.09 75.11 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.319 -0.863 . . . . 0.0 108.829 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.47 -40.89 80.83 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.276 -0.89 . . . . 0.0 108.673 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.459 ' O ' HD21 ' C' ' 344' ' ' LEU . 9.4 mtm -59.95 -51.51 69.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.806 . . . . 0.0 108.868 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 344' ' ' LEU . 4.6 m-85 -63.03 -28.96 70.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.46 -0.775 . . . . 0.0 109.079 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.416 ' HG3' ' CE2' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -68.82 -29.08 67.34 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.3 -0.875 . . . . 0.0 108.765 179.434 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.73 -50.51 11.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.438 -0.789 . . . . 0.0 109.206 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.576 HD13 ' CE1' ' A' ' 341' ' ' PHE . 1.0 OUTLIER -56.52 -36.71 69.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.18 -0.95 . . . . 0.0 108.582 179.562 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.553 ' ND2' ' CE2' ' D' ' 341' ' ' PHE . 3.4 m-20 -78.33 -23.22 47.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.501 -0.75 . . . . 0.0 109.242 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -72.08 -37.25 69.63 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.265 -0.897 . . . . 0.0 109.237 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.446 ' HA ' HD21 ' C' ' 350' ' ' LEU . . . -72.76 -41.05 65.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.259 -0.901 . . . . 0.0 109.156 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.447 HD11 ' HD2' ' D' ' 337' ' ' ARG . 28.5 mt -61.4 -48.79 79.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.982 . . . . 0.0 108.83 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.65 -31.5 68.21 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.527 ' CD1' HD13 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -68.37 -32.41 72.48 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.472 ' HA ' HD23 ' B' ' 350' ' ' LEU . 10.7 ttmt -57.33 -37.24 72.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.435 -0.791 . . . . 0.0 108.968 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.53 -24.14 42.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.367 -0.833 . . . . 0.0 109.173 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.297 -0.877 . . . . 0.0 109.528 179.825 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.29 109.28 18.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.319 -0.863 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -105.53 142.66 34.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.503 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.46 HG23 HG23 ' C' ' 329' ' ' THR . 0.2 OUTLIER -99.62 134.62 42.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.384 -0.823 . . . . 0.0 109.64 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.534 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.8 OUTLIER -114.86 86.1 2.38 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.259 -0.9 . . . . 0.0 108.949 179.57 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.453 ' HG2' HG22 ' C' ' 329' ' ' THR . 35.8 mt-30 -80.32 122.81 27.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 0.0 109.731 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -125.02 125.15 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.305 -0.872 . . . . 0.0 109.344 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -85.4 100.25 11.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.094 -1.004 . . . . 0.0 109.535 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.11 -132.2 2.35 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -177.93 -50.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.311 -1.111 . . . . 0.0 108.972 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.29 -44.35 65.38 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.329 -0.857 . . . . 0.0 108.789 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.447 ' HD2' HD11 ' C' ' 348' ' ' LEU . 16.9 mtm180 -67.08 -38.82 86.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.303 -0.873 . . . . 0.0 108.694 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.543 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 83.0 t80 -65.44 -33.33 75.7 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.25 -40.82 81.85 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.46 ' O ' HD21 ' D' ' 344' ' ' LEU . 9.3 mtm -60.23 -51.01 71.38 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.368 -0.833 . . . . 0.0 108.93 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' B' ' 344' ' ' LEU . 4.5 m-85 -63.55 -28.5 69.98 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.457 -0.777 . . . . 0.0 109.012 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.405 ' HG3' ' CE2' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -69.09 -29.28 67.34 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.364 -0.835 . . . . 0.0 108.761 179.434 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.47 -50.74 11.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.442 -0.786 . . . . 0.0 109.147 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.578 HD13 ' CE1' ' B' ' 341' ' ' PHE . 0.8 OUTLIER -56.3 -36.88 69.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 108.638 179.569 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.544 ' ND2' ' CE2' ' C' ' 341' ' ' PHE . 3.5 m-20 -78.26 -23.35 47.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.446 -0.784 . . . . 0.0 109.221 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -71.25 -37.75 71.94 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.912 . . . . 0.0 109.23 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.453 ' HA ' HD21 ' D' ' 350' ' ' LEU . . . -71.71 -43.97 64.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.284 -0.885 . . . . 0.0 109.103 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.477 HD11 ' HD2' ' C' ' 337' ' ' ARG . 29.7 mt -58.73 -49.53 77.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 108.865 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.44 -31.78 68.07 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.239 -0.913 . . . . 0.0 108.554 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.536 HD13 ' CD1' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -67.88 -33.07 74.02 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.455 ' HA ' HD23 ' A' ' 350' ' ' LEU . 10.6 ttmt -56.84 -37.81 71.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.312 -0.867 . . . . 0.0 108.949 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -79.12 -24.08 43.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 109.196 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.247 -0.908 . . . . 0.0 109.533 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -100.56 121.79 42.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.352 -0.842 . . . . 0.0 109.539 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.54 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 81.0 m-85 -115.72 161.17 19.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 0.0 109.397 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.57 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -120.82 135.25 55.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.325 -0.86 . . . . 0.0 109.484 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.513 HD22 ' ND2' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -115.84 93.6 4.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.488 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 1.0 OUTLIER -89.79 116.52 27.95 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.236 -0.915 . . . . 0.0 109.126 -179.192 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 5.9 mt -120.07 142.22 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.485 -0.759 . . . . 0.0 109.565 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -92.14 131.39 37.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.495 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.64 -133.38 6.91 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -173.03 -64.67 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.223 -1.163 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.95 -51.67 55.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.317 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -57.21 -46.6 82.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.089 -1.007 . . . . 0.0 109.036 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 62.1 t80 -55.65 -29.17 58.81 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.234 -0.916 . . . . 0.0 109.249 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -72.19 -40.02 68.21 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.016 -1.053 . . . . 0.0 109.094 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.467 ' O ' HD21 ' A' ' 344' ' ' LEU . 9.2 mtm -62.59 -42.58 99.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.0 109.683 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' B' ' 344' ' ' LEU . 6.3 m-85 -70.42 -34.52 72.6 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.655 0.74 . . . . 0.0 109.499 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 44.2 ttt180 -60.25 -41.69 93.75 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -39.19 61.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.872 . . . . 0.0 109.76 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.566 ' HB3' ' CZ ' ' B' ' 341' ' ' PHE . 0.5 OUTLIER -56.13 -57.52 11.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.153 -0.967 . . . . 0.0 109.159 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.513 ' ND2' HD22 ' B' ' 330' ' ' LEU . 4.6 p30 -66.88 -22.38 65.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 109.979 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 9.1 tt0 -64.88 -41.7 95.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.069 -1.019 . . . . 0.0 109.515 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.471 ' HA ' HD22 ' A' ' 350' ' ' LEU . . . -72.75 -48.51 37.83 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.298 -0.876 . . . . 0.0 109.872 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.52 ' CD2' ' HB1' ' D' ' 347' ' ' ALA . 60.7 mt -51.26 -50.91 58.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.094 -1.004 . . . . 0.0 108.776 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.93 -31.36 70.89 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.215 -0.928 . . . . 0.0 108.555 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.555 HD23 ' CA ' ' D' ' 351' ' ' LYS . 0.2 OUTLIER -65.08 -30.07 70.99 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 120.97 -1.081 . . . . 0.0 108.262 179.285 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.521 ' CA ' HD23 ' D' ' 350' ' ' LEU . 17.6 tttt -62.18 -46.42 89.02 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.06 -31.21 68.66 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.932 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.236 -0.915 . . . . 0.0 109.883 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -101.11 122.11 43.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.243 -0.91 . . . . 0.0 109.428 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.52 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 80.5 m-85 -117.05 159.57 22.34 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.21 -0.932 . . . . 0.0 109.68 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.57 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.52 143.88 45.63 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.0 109.184 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.513 HD22 ' ND2' ' A' ' 345' ' ' ASN . 0.2 OUTLIER -124.35 82.14 2.01 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.626 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -79.36 118.51 21.33 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.425 -0.797 . . . . 0.0 110.123 -179.089 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 6.1 mt -121.82 141.1 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.437 -0.789 . . . . 0.0 109.158 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -91.39 131.51 36.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.219 -0.926 . . . . 0.0 109.431 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.85 -133.56 6.97 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -173.17 -64.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.201 -1.176 . . . . 0.0 109.423 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -51.64 -51.14 58.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.92 . . . . 0.0 109.365 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -57.51 -48.09 80.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.54 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 61.6 t80 -54.44 -28.8 46.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.173 -0.954 . . . . 0.0 109.285 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -72.48 -41.2 66.27 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.228 -0.92 . . . . 0.0 109.092 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.467 ' O ' HD21 ' B' ' 344' ' ' LEU . 11.4 mtm -62.94 -42.72 99.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.327 -0.858 . . . . 0.0 109.104 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 344' ' ' LEU . 5.2 m-85 -70.33 -31.46 68.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.392 -0.818 . . . . 0.0 109.214 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 46.3 ttt180 -63.43 -40.45 97.2 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.248 -0.908 . . . . 0.0 109.173 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -38.27 58.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.377 -0.827 . . . . 0.0 109.666 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 341' ' ' PHE . 0.5 OUTLIER -57.56 -54.97 40.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.139 -0.976 . . . . 0.0 109.135 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.513 ' ND2' HD22 ' A' ' 330' ' ' LEU . 4.1 p30 -68.99 -22.65 64.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 109.81 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 8.9 tt0 -64.99 -42.65 94.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.109 -0.994 . . . . 0.0 109.499 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.463 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . . . -70.99 -50.11 37.87 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.324 -0.86 . . . . 0.0 109.622 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.506 ' CD2' ' HB1' ' C' ' 347' ' ' ALA . 67.0 mt -50.17 -51.71 41.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.103 -0.998 . . . . 0.0 109.198 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.61 -33.27 72.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.284 -0.885 . . . . 0.0 108.618 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.54 HD23 ' CA ' ' C' ' 351' ' ' LYS . 0.2 OUTLIER -62.44 -31.66 72.4 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.535 ' CA ' HD23 ' C' ' 350' ' ' LEU . 17.9 tttt -60.92 -46.09 92.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.477 -0.764 . . . . 0.0 108.968 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -27.91 67.5 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.412 -0.805 . . . . 0.0 109.099 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.304 -0.873 . . . . 0.0 109.401 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -101.45 121.93 42.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 0.0 109.38 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.537 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 79.8 m-85 -115.93 160.8 19.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.199 -0.938 . . . . 0.0 109.511 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.523 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -120.09 138.09 53.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.247 -0.908 . . . . 0.0 109.465 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.521 HD22 ' ND2' ' D' ' 345' ' ' ASN . 0.2 OUTLIER -118.61 84.87 2.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.345 -0.847 . . . . 0.0 108.939 179.796 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -81.64 118.4 22.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.267 -0.895 . . . . 0.0 109.973 -179.441 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 6.1 mt -121.8 141.92 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.363 -0.836 . . . . 0.0 109.137 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -92.01 131.0 37.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.226 -0.921 . . . . 0.0 109.662 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.86 -133.81 7.11 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.69 -64.55 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -1.189 . . . . 0.0 109.388 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.54 -51.0 58.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.448 ' HD3' ' HB3' ' D' ' 348' ' ' LEU . 1.5 mtm180 -57.9 -47.36 83.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.244 -0.91 . . . . 0.0 109.175 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 62.3 t80 -55.04 -29.29 57.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.278 -0.889 . . . . 0.0 109.327 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -71.72 -41.45 68.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.197 -0.939 . . . . 0.0 109.181 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.448 ' O ' HD21 ' C' ' 344' ' ' LEU . 11.2 mtm -62.72 -42.3 99.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 0.0 109.156 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' D' ' 345' ' ' ASN . 5.2 m-85 -70.58 -31.91 69.09 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.366 -0.834 . . . . 0.0 109.21 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 46.1 ttt180 -62.75 -40.61 97.79 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.302 -0.874 . . . . 0.0 109.156 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.83 -38.07 58.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.357 -0.839 . . . . 0.0 109.768 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.566 ' HB3' ' CZ ' ' D' ' 341' ' ' PHE . 0.4 OUTLIER -57.57 -54.63 44.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.181 -0.949 . . . . 0.0 109.154 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.566 ' HB3' ' CE2' ' D' ' 341' ' ' PHE . 5.0 p30 -69.58 -22.42 63.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.879 . . . . 0.0 109.853 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 9.0 tt0 -65.04 -42.11 94.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.933 -1.104 . . . . 0.0 109.357 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' B' ' 348' ' ' LEU . . . -71.5 -49.61 39.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.297 -0.877 . . . . 0.0 109.567 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.434 HD13 HD12 ' B' ' 344' ' ' LEU . 66.5 mt -50.8 -51.33 51.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.112 -0.992 . . . . 0.0 109.152 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.75 -33.11 72.43 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.535 HD23 ' CA ' ' B' ' 351' ' ' LYS . 0.2 OUTLIER -62.84 -31.07 72.01 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.301 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.54 ' CA ' HD23 ' B' ' 350' ' ' LEU . 17.9 tttt -61.09 -46.31 91.15 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -27.98 67.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.12 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.455 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.268 0.556 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -101.39 122.08 43.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -0.924 . . . . 0.0 109.377 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.542 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 79.4 m-85 -116.09 160.83 19.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 0.0 109.499 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.523 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -120.14 138.1 53.78 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.224 -0.923 . . . . 0.0 109.556 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.526 HD22 ' ND2' ' C' ' 345' ' ' ASN . 0.2 OUTLIER -118.59 84.68 2.22 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.334 -0.854 . . . . 0.0 108.982 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -81.45 118.37 22.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.316 -0.865 . . . . 0.0 109.965 -179.427 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 6.0 mt -121.63 141.74 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.318 -0.864 . . . . 0.0 109.342 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -91.8 131.68 36.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.956 . . . . 0.0 109.675 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.33 -133.85 7.2 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.61 -64.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -1.132 . . . . 0.0 109.418 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -51.66 -51.12 58.37 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.24 -0.912 . . . . 0.0 109.279 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.423 ' HD3' ' HB3' ' C' ' 348' ' ' LEU . 1.5 mtm180 -57.56 -47.54 81.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.186 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 62.3 t80 -54.8 -29.34 54.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.336 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -71.79 -41.41 68.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.0 109.165 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.3 mtm -62.64 -42.59 99.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -0.884 . . . . 0.0 109.14 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' C' ' 344' ' ' LEU . 5.1 m-85 -70.33 -31.52 68.86 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.397 -0.814 . . . . 0.0 109.194 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 45.8 ttt180 -63.28 -40.37 97.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.348 -0.845 . . . . 0.0 109.193 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -38.18 58.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.457 -0.777 . . . . 0.0 109.767 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.574 ' HB3' ' CZ ' ' C' ' 341' ' ' PHE . 0.4 OUTLIER -57.52 -55.11 39.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 0.0 109.13 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.579 ' HB3' ' CE2' ' C' ' 341' ' ' PHE . 4.9 p30 -69.07 -22.26 64.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.264 -0.897 . . . . 0.0 109.992 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 8.9 tt0 -65.15 -41.85 94.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.025 -1.047 . . . . 0.0 109.359 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.52 ' HB1' ' CD2' ' A' ' 348' ' ' LEU . . . -71.54 -50.48 30.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.275 -0.891 . . . . 0.0 109.548 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.448 ' HB3' ' HD3' ' C' ' 337' ' ' ARG . 67.4 mt -49.88 -51.66 38.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 109.062 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -60.7 -33.38 72.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.342 -0.849 . . . . 0.0 108.725 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.537 ' CD1' HD13 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -62.41 -31.29 71.95 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.266 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.555 ' CA ' HD23 ' A' ' 350' ' ' LEU . 17.9 tttt -61.14 -45.95 92.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.578 -0.701 . . . . 0.0 109.111 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -27.25 67.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.398 -0.814 . . . . 0.0 109.133 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.289 -0.882 . . . . 0.0 109.545 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.545 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 2.0 m-85 -100.82 122.39 43.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.929 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 62.2 m-85 -116.16 165.8 12.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.161 -0.962 . . . . 0.0 109.533 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.483 HG23 HG23 ' B' ' 329' ' ' THR . 0.2 OUTLIER -134.89 136.15 42.15 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.22 -0.925 . . . . 0.0 109.953 -179.222 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.575 ' CD2' ' ND2' ' B' ' 345' ' ' ASN . 0.0 OUTLIER -114.1 95.31 5.23 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -88.64 110.1 20.66 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.263 -0.898 . . . . 0.0 108.959 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.51 124.06 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.501 -0.749 . . . . 0.0 109.893 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.499 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 4.6 tmm_? -86.23 100.77 12.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 108.625 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.04 -131.05 2.1 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -175.8 -51.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -1.076 . . . . 0.0 109.005 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.25 -45.94 58.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.172 -0.955 . . . . 0.0 108.89 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.453 ' HD3' HD23 ' B' ' 348' ' ' LEU . 43.1 mtm-85 -61.86 -43.19 99.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.264 -0.898 . . . . 0.0 108.747 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.49 -37.74 79.02 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.274 -0.891 . . . . 0.0 108.776 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -44.65 96.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.248 -0.907 . . . . 0.0 108.826 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.512 ' HE1' HD23 ' C' ' 344' ' ' LEU . 10.8 mtp -51.98 -53.02 46.41 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.927 0.87 . . . . 0.0 109.588 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 345' ' ' ASN . 5.2 m-85 -62.31 -29.79 70.69 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.931 0.872 . . . . 0.0 109.199 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -62.94 -38.55 91.51 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.45 ' OE2' ' SD ' ' C' ' 340' ' ' MET . 1.1 tt0 -69.32 -48.21 62.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.184 -0.948 . . . . 0.0 109.17 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.484 ' HG ' ' HG ' ' D' ' 344' ' ' LEU . 1.2 mm? -60.72 -29.13 69.16 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.538 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.4 t-20 -80.59 -24.2 39.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.12 -42.16 66.37 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.46 -47.68 69.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 109.237 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.38 -43.92 88.67 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 345' ' ' ASN . 1.8 tt0 -64.0 -26.58 68.63 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.535 ' CD1' HD13 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -72.37 -25.82 61.66 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.088 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.454 ' CA ' HD23 ' D' ' 350' ' ' LEU . 27.9 tttt -66.89 -43.18 84.12 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -72.67 -22.26 60.95 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.266 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 109.91 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 2.0 m-85 -100.57 122.63 43.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 109.561 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -117.56 163.68 16.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.199 -0.938 . . . . 0.0 109.558 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.483 HG23 HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -131.86 144.26 50.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 109.651 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.0 OUTLIER -121.3 86.13 2.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 8.5 tt0 -79.21 111.74 15.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.912 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -111.96 123.74 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.517 -0.739 . . . . 0.0 109.389 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 4.5 tmm_? -86.59 98.88 11.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.372 -0.83 . . . . 0.0 109.071 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.31 -130.75 1.98 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -175.02 -51.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.288 -1.125 . . . . 0.0 109.115 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.05 -44.44 63.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.17 -0.956 . . . . 0.0 108.956 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -63.13 -44.38 95.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.223 -0.923 . . . . 0.0 108.966 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.28 -38.55 77.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.233 -0.917 . . . . 0.0 108.767 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' B' ' 342' ' ' ARG . 0.9 OUTLIER -61.17 -46.31 91.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 108.616 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.484 ' HE1' HD23 ' D' ' 344' ' ' LEU . 12.0 mtp -51.28 -54.25 27.75 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.498 -0.751 . . . . 0.0 108.979 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' B' ' 345' ' ' ASN . 3.9 m-85 -62.1 -26.13 68.11 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' B' ' 339' ' ' GLU . 9.7 mtp180 -66.12 -38.12 87.4 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.444 -0.785 . . . . 0.0 109.031 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.472 ' HG2' ' HE2' ' D' ' 340' ' ' MET . 1.1 tt0 -69.11 -47.86 64.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.827 . . . . 0.0 108.941 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.5 HD23 ' HE1' ' D' ' 340' ' ' MET . 1.1 mm? -61.66 -26.48 68.04 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.575 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.4 t-20 -83.8 -22.34 31.85 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.92 -41.53 61.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.466 -0.771 . . . . 0.0 109.017 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.81 -49.18 66.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.413 -0.804 . . . . 0.0 108.913 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.453 HD23 ' HD3' ' A' ' 337' ' ' ARG . 26.0 mt -58.04 -44.08 87.18 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' B' ' 345' ' ' ASN . 1.8 tt0 -63.84 -27.14 68.96 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.541 ' CD1' HD13 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -71.23 -27.28 63.36 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.193 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.453 ' CA ' HD23 ' C' ' 350' ' ' LEU . 28.1 tttt -65.94 -42.31 90.22 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -73.43 -21.83 60.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.372 -0.83 . . . . 0.0 109.166 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.606 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.581 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 1.9 m-85 -100.51 122.44 43.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.143 -0.973 . . . . 0.0 109.485 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -116.09 166.37 12.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.971 . . . . 0.0 109.544 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.474 HG23 HG23 ' D' ' 329' ' ' THR . 0.2 OUTLIER -135.25 139.25 44.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.227 -0.921 . . . . 0.0 109.954 -179.541 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.589 ' CD2' ' ND2' ' D' ' 345' ' ' ASN . 0.0 OUTLIER -117.08 88.01 2.82 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -80.9 111.84 17.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.762 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.12 124.11 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.311 -0.868 . . . . 0.0 109.563 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.569 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 4.4 tmm_? -86.36 99.28 11.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.271 -0.893 . . . . 0.0 109.273 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.77 -131.46 2.17 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -174.42 -51.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -1.096 . . . . 0.0 109.057 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.49 -45.15 63.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.144 -0.972 . . . . 0.0 108.896 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -62.57 -43.79 97.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.261 -0.9 . . . . 0.0 108.878 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.71 -38.94 79.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.304 -0.872 . . . . 0.0 108.845 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' C' ' 342' ' ' ARG . 0.9 OUTLIER -60.63 -46.17 91.29 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.296 -0.877 . . . . 0.0 108.688 179.39 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.48 ' HE1' HD23 ' A' ' 344' ' ' LEU . 13.0 mtp -51.45 -53.74 33.98 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.348 -0.845 . . . . 0.0 108.969 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' C' ' 345' ' ' ASN . 4.0 m-85 -62.53 -25.91 68.28 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.422 -0.799 . . . . 0.0 109.008 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' C' ' 339' ' ' GLU . 10.2 mtp180 -66.34 -37.61 85.74 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.382 -0.823 . . . . 0.0 109.049 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.453 ' OE2' ' SD ' ' A' ' 340' ' ' MET . 1.1 tt0 -69.39 -47.75 63.28 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.876 . . . . 0.0 108.918 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.512 HD23 ' HE1' ' A' ' 340' ' ' MET . 1.2 mm? -61.87 -26.55 68.22 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.592 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.5 t-20 -84.09 -21.84 31.35 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.55 -41.45 60.55 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.406 ' HB1' HD22 ' B' ' 348' ' ' LEU . . . -67.22 -46.65 73.2 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.425 -0.797 . . . . 0.0 109.143 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 25.2 mt -60.56 -43.33 97.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.131 -0.981 . . . . 0.0 108.442 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' C' ' 345' ' ' ASN . 1.8 tt0 -64.12 -26.88 68.73 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.541 HD13 ' CD1' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.4 -26.86 62.94 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.303 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.506 ' CA ' HD23 ' B' ' 350' ' ' LEU . 27.9 tttt -66.22 -42.38 88.78 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -73.65 -21.1 60.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.427 -0.796 . . . . 0.0 109.144 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 O-C-N 121.312 -0.867 . . . . 0.0 109.461 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.569 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 2.0 m-85 -100.91 122.41 43.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 0.0 109.473 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -116.07 165.98 12.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 0.0 109.498 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.474 HG23 HG23 ' C' ' 329' ' ' THR . 0.2 OUTLIER -134.85 139.49 45.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.169 -0.957 . . . . 0.0 109.942 -179.647 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.592 ' CD2' ' ND2' ' C' ' 345' ' ' ASN . 0.0 OUTLIER -116.94 88.16 2.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.351 -0.843 . . . . 0.0 108.754 179.448 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -81.08 112.07 18.11 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.26 -0.9 . . . . 0.0 109.725 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.18 123.83 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.334 -0.854 . . . . 0.0 109.48 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 4.4 tmm_? -86.47 99.48 11.69 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.3 -0.875 . . . . 0.0 109.339 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.46 -131.29 2.15 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -174.25 -52.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -1.127 . . . . 0.0 109.033 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.36 -44.84 64.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.186 -0.946 . . . . 0.0 108.888 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 40.5 mtm-85 -62.92 -43.89 97.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.225 -0.922 . . . . 0.0 108.82 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.57 -39.0 79.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.232 -0.918 . . . . 0.0 108.785 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' D' ' 342' ' ' ARG . 0.9 OUTLIER -60.71 -46.08 91.75 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.5 ' HE1' HD23 ' B' ' 344' ' ' LEU . 13.3 mtp -51.48 -53.95 32.11 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.375 -0.828 . . . . 0.0 108.995 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' D' ' 345' ' ' ASN . 3.9 m-85 -62.24 -25.88 68.06 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' D' ' 339' ' ' GLU . 10.2 mtp180 -66.31 -38.11 86.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.487 -0.758 . . . . 0.0 109.091 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.47 ' HG2' ' HE2' ' B' ' 340' ' ' MET . 1.1 tt0 -69.12 -47.84 64.06 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.323 -0.86 . . . . 0.0 108.974 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.484 HD23 ' HE1' ' B' ' 340' ' ' MET . 1.1 mm? -61.73 -26.6 68.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.589 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.5 t-20 -83.86 -21.88 31.86 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.09 -41.46 61.64 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.49 -49.43 66.6 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.362 -0.836 . . . . 0.0 109.037 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 25.7 mt -58.09 -43.85 87.28 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.12 -26.89 68.74 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.535 HD13 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -71.24 -27.31 63.37 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.181 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.528 ' CA ' HD23 ' A' ' 350' ' ' LEU . 28.8 tttt -66.2 -42.33 88.95 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -73.5 -21.65 60.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.405 -0.809 . . . . 0.0 109.048 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 109.422 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 328' ' ' PHE . 2.7 tt0 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -105.58 120.29 41.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.92 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.547 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 91.6 m-85 -115.81 142.13 47.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.558 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.539 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -104.7 126.25 51.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.378 -0.826 . . . . 0.0 109.303 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.58 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -107.44 93.91 4.8 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.69 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -88.64 109.07 19.81 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.09 -1.006 . . . . 0.0 108.68 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -112.55 140.19 33.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.415 -0.803 . . . . 0.0 109.575 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -94.15 138.63 31.97 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.31 -0.869 . . . . 0.0 109.206 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 134.08 -126.78 4.33 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 35.4 ttm180 177.48 -46.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.356 -1.085 . . . . 0.0 108.805 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.62 -55.41 6.32 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.388 -0.82 . . . . 0.0 108.972 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.434 ' HD3' HD21 ' B' ' 348' ' ' LEU . 1.5 ttm180 -53.59 -47.4 70.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.873 . . . . 0.0 109.108 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.56 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 85.3 t80 -57.0 -32.95 66.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 109.251 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -40.8 76.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 0.0 109.344 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.435 ' O ' ' CD2' ' A' ' 344' ' ' LEU . 14.2 mtm -53.83 -54.77 33.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.888 . . . . 0.0 109.56 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.581 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 15.3 m-85 -60.66 -38.97 86.64 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.848 0.832 . . . . 0.0 109.302 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.479 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 2.2 ttp180 -50.09 -38.33 38.07 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.26 -56.8 4.46 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.471 -0.768 . . . . 0.0 109.947 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.547 ' CD1' ' HB3' ' D' ' 344' ' ' LEU . 1.4 mm? -44.97 -59.43 2.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.106 -0.996 . . . . 0.0 109.898 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 348' ' ' LEU . 1.9 p30 -62.47 -27.27 69.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 110.15 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 1.2 tp10 -62.76 -44.78 95.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.032 -1.042 . . . . 0.0 109.77 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.454 ' HA ' HD21 ' A' ' 350' ' ' LEU . . . -72.38 -39.67 67.86 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.146 -0.972 . . . . 0.0 109.78 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' D' ' 347' ' ' ALA . 20.2 mt -54.75 -51.48 65.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 0.0 108.628 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -61.93 -29.67 70.38 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.536 ' CD2' ' CB ' ' D' ' 351' ' ' LYS . 0.1 OUTLIER -68.04 -27.75 66.79 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 120.897 -1.127 . . . . 0.0 107.998 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 2.2 ttpt -64.8 -45.43 86.27 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -58.23 -35.73 72.13 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 119.626 -0.83 . . . . 0.0 108.77 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 109.397 179.772 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' B' ' 328' ' ' PHE . 2.8 tt0 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -105.72 120.81 42.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.289 -0.882 . . . . 0.0 109.221 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 338' ' ' PHE . 90.4 m-85 -116.64 141.96 47.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -0.923 . . . . 0.0 109.807 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.539 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -103.17 133.65 47.91 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.0 108.988 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.56 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 1.0 OUTLIER -114.79 82.35 1.71 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.283 -0.885 . . . . 0.0 108.734 179.738 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -78.65 108.28 11.95 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.287 -0.883 . . . . 0.0 109.794 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -111.84 140.36 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.326 -0.859 . . . . 0.0 109.172 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -94.42 138.22 32.63 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.298 -0.876 . . . . 0.0 109.295 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 133.93 -126.26 4.19 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 35.8 ttm180 177.65 -46.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.394 -1.062 . . . . 0.0 109.023 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.38 -54.83 7.37 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.326 -0.859 . . . . 0.0 109.076 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -53.93 -48.59 70.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.869 . . . . 0.0 109.22 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.58 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 84.3 t80 -55.87 -32.32 63.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.237 -0.915 . . . . 0.0 109.443 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -42.12 71.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.242 -0.911 . . . . 0.0 109.133 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.5 mtm -53.81 -56.26 19.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 108.842 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.581 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 19.3 m-85 -58.73 -39.05 79.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.34 -0.85 . . . . 0.0 108.963 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.3 ttp180 -50.43 -36.9 35.27 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.509 -0.744 . . . . 0.0 109.448 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' B' ' 344' ' ' LEU . 5.2 tp10 -75.53 -56.41 4.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.42 -0.8 . . . . 0.0 109.96 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' C' ' 344' ' ' LEU . 1.4 mm? -45.47 -59.2 2.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.196 -0.94 . . . . 0.0 109.651 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.46 ' HA ' ' CD1' ' B' ' 348' ' ' LEU . 1.6 p30 -61.79 -27.55 68.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.955 . . . . 0.0 109.938 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 1.2 tp10 -63.69 -43.58 96.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.108 -0.995 . . . . 0.0 109.923 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.445 ' HB3' HD22 ' C' ' 348' ' ' LEU . . . -73.7 -38.8 64.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.043 -1.036 . . . . 0.0 109.508 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 344' ' ' LEU . 20.5 mt -55.41 -52.26 64.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.222 -0.924 . . . . 0.0 108.781 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -60.69 -33.94 73.62 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.1 OUTLIER -62.39 -31.24 71.88 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 179.369 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.546 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 2.2 ttpt -62.74 -46.0 90.08 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.393 -0.817 . . . . 0.0 108.93 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -57.84 -34.25 69.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.414 -0.804 . . . . 0.0 108.979 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.414 0 O-C-N 121.352 -0.843 . . . . 0.0 109.45 179.854 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' C' ' 328' ' ' PHE . 2.8 tt0 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -105.97 120.43 41.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.32 -0.862 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.58 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 89.4 m-85 -115.66 142.48 46.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 0.0 109.589 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.75 128.78 52.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 109.363 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.573 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 1.0 OUTLIER -109.98 85.57 2.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 0.0 109.262 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -81.47 108.02 14.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.232 -0.917 . . . . 0.0 109.697 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.73 140.97 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.389 -0.82 . . . . 0.0 109.253 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.413 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 20.3 ttp180 -94.9 138.34 32.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.157 -0.964 . . . . 0.0 109.523 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 133.45 -126.85 4.47 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 35.6 ttm180 178.66 -45.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -1.143 . . . . 0.0 109.035 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.38 -55.1 6.83 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.359 -0.838 . . . . 0.0 109.066 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -53.88 -47.72 70.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.256 -0.902 . . . . 0.0 109.209 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' D' ' 328' ' ' PHE . 85.2 t80 -56.7 -32.86 65.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 109.41 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -41.97 74.52 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.961 . . . . 0.0 109.218 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.6 mtm -53.82 -55.67 24.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.215 -0.928 . . . . 0.0 108.95 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 19.7 m-85 -59.15 -39.24 81.81 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.312 -0.867 . . . . 0.0 108.871 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.0 ttp180 -49.97 -36.54 28.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.435 -0.791 . . . . 0.0 109.476 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.14 -56.35 4.73 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.319 -0.863 . . . . 0.0 109.937 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.516 ' CD1' ' HB3' ' B' ' 344' ' ' LEU . 1.4 mm? -45.36 -59.21 2.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.179 -0.951 . . . . 0.0 109.808 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.458 ' HA ' ' CD1' ' C' ' 348' ' ' LEU . 1.9 p30 -62.39 -27.36 69.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.098 -1.001 . . . . 0.0 110.051 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 1.2 tp10 -63.97 -43.27 96.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.088 -1.007 . . . . 0.0 109.888 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.451 ' HB3' HD22 ' B' ' 348' ' ' LEU . . . -74.04 -36.97 64.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.244 -0.91 . . . . 0.0 109.39 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' C' ' 344' ' ' LEU . 20.5 mt -57.2 -51.89 67.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.099 -1.0 . . . . 0.0 108.886 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -60.57 -33.63 72.99 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.286 -0.884 . . . . 0.0 108.687 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.546 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -63.02 -30.62 71.75 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.429 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 2.3 ttpt -63.27 -45.86 89.53 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.93 -34.24 69.66 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.376 -0.827 . . . . 0.0 109.021 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.875 . . . . 0.0 109.428 179.762 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . 0.449 ' HB3' ' CE2' ' D' ' 328' ' ' PHE . 2.8 tt0 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.413 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 6.0 m-85 -105.53 120.49 41.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.306 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.581 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 89.9 m-85 -115.78 142.44 46.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.122 -0.986 . . . . 0.0 109.587 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.68 129.04 52.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 109.336 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.58 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 1.0 OUTLIER -110.32 85.42 2.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 0.0 109.185 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -81.15 107.99 14.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.18 -0.95 . . . . 0.0 109.699 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.6 141.06 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.258 -0.901 . . . . 0.0 109.285 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -94.9 138.51 32.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.924 . . . . 0.0 109.508 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 133.08 -126.89 4.55 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 35.6 ttm180 178.93 -45.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.329 -1.1 . . . . 0.0 108.98 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.4 -55.43 6.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.355 -0.84 . . . . 0.0 109.075 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -53.6 -47.55 70.07 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.37 -0.831 . . . . 0.0 109.2 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' C' ' 328' ' ' PHE . 84.8 t80 -56.76 -33.09 66.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 0.0 109.327 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -42.16 75.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 0.0 109.116 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.9 mtm -53.57 -56.05 20.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.0 109.032 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 19.3 m-85 -58.74 -39.07 79.84 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.319 -0.863 . . . . 0.0 108.926 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 ttp180 -50.21 -36.65 31.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.85 . . . . 0.0 109.507 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.84 -56.16 4.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.904 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.547 ' HB3' ' CD1' ' A' ' 344' ' ' LEU . 1.4 mm? -45.56 -59.02 2.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.175 -0.953 . . . . 0.0 109.892 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.454 ' HA ' ' CD1' ' D' ' 348' ' ' LEU . 2.0 p30 -62.78 -26.77 68.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.088 -1.008 . . . . 0.0 110.064 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 1.2 tp10 -63.98 -43.61 95.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.1 -1.0 . . . . 0.0 109.793 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.475 ' HB3' HD22 ' A' ' 348' ' ' LEU . . . -73.4 -39.0 65.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.124 -0.985 . . . . 0.0 109.419 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' D' ' 345' ' ' ASN . 19.7 mt -55.49 -52.02 65.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.196 -0.94 . . . . 0.0 108.863 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.69 -34.26 74.09 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.288 -0.882 . . . . 0.0 108.67 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.539 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -62.13 -31.11 71.54 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.536 ' CB ' ' CD2' ' A' ' 350' ' ' LEU . 2.3 ttpt -62.95 -46.54 87.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.446 -0.784 . . . . 0.0 108.906 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.28 -33.87 68.08 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.467 -0.77 . . . . 0.0 108.945 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 0.0 109.415 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.501 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 6.4 m-85 -102.47 108.91 20.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.219 -0.925 . . . . 0.0 109.365 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 54.7 m-85 -98.04 170.58 8.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.163 -0.961 . . . . 0.0 108.865 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.581 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -138.33 130.49 28.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.167 -0.958 . . . . 0.0 110.116 -179.231 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.582 ' CD2' ' ND2' ' B' ' 345' ' ' ASN . 0.1 OUTLIER -110.94 97.34 6.75 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.241 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.52 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.4 mt-30 -86.75 112.2 21.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.155 -0.965 . . . . 0.0 108.834 -179.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -110.36 113.75 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.513 -0.742 . . . . 0.0 109.809 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.488 ' HG2' ' CZ ' ' B' ' 327' ' ' TYR . 37.6 mtm180 -77.19 97.88 4.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.188 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 171.48 -118.6 0.75 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 5.0 ttm180 173.14 -66.12 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.513 -0.992 . . . . 0.0 109.119 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.01 -51.22 70.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.292 -0.88 . . . . 0.0 109.052 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 340' ' ' MET . 8.4 mtm105 -56.12 -40.55 73.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 108.791 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.499 ' CD1' ' HB3' ' B' ' 328' ' ' PHE . 71.1 t80 -57.94 -40.98 81.8 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.318 -0.864 . . . . 0.0 108.894 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 342' ' ' ARG . 19.7 mt-10 -61.13 -39.77 91.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.137 -0.977 . . . . 0.0 108.674 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.476 ' HE1' HD23 ' C' ' 344' ' ' LEU . 3.1 mtp -53.48 -49.93 66.42 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.991 0.9 . . . . 0.0 109.285 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 345' ' ' ASN . 3.2 m-85 -66.4 -29.41 69.57 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.705 0.764 . . . . 0.0 109.223 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -60.52 -38.15 83.47 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.439 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 49.1 tp10 -70.59 -49.13 51.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.901 . . . . 0.0 108.726 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.494 ' CD1' HD13 ' D' ' 348' ' ' LEU . 1.1 mm? -59.77 -23.9 63.64 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.526 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.0 OUTLIER -85.76 -26.25 25.92 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 350' ' ' LEU . 20.7 tp10 -70.5 -42.23 71.59 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.533 -0.729 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.521 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -74.82 -47.28 31.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.28 -0.887 . . . . 0.0 109.736 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 344' ' ' LEU . 75.0 mt -54.83 -52.21 63.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.091 -1.006 . . . . 0.0 108.759 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.05 -26.32 68.19 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.129 -0.982 . . . . 0.0 108.538 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 347' ' ' ALA . 0.1 OUTLIER -71.81 -28.05 63.34 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 120.918 -1.114 . . . . 0.0 108.144 179.443 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.432 ' HG3' HD21 ' D' ' 350' ' ' LEU . 6.8 tttt -62.91 -43.61 98.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.47 -34.86 77.67 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.345 -0.847 . . . . 0.0 109.577 179.601 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.326 0.584 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 333' ' ' ARG . 6.2 m-85 -103.11 106.86 17.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.532 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 55.5 m-85 -97.42 166.36 11.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.0 109.17 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.581 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -133.19 137.46 46.18 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.328 -0.858 . . . . 0.0 109.94 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.526 ' CD2' ' ND2' ' A' ' 345' ' ' ASN . 0.0 OUTLIER -117.86 88.61 2.95 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 3.2 mt-30 -77.95 112.93 15.36 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.185 -0.947 . . . . 0.0 109.858 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.86 114.02 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.347 -0.846 . . . . 0.0 109.289 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.501 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 38.0 mtm180 -77.49 97.93 5.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.0 109.171 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 171.02 -119.14 0.78 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 5.0 ttm180 174.1 -66.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.323 -1.104 . . . . 0.0 109.219 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.53 -50.85 72.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.137 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -56.53 -41.55 76.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.006 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 328' ' ' PHE . 72.1 t80 -56.78 -41.86 78.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.197 -0.94 . . . . 0.0 108.777 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.414 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 17.7 mt-10 -60.41 -41.06 93.12 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.46 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 3.5 mtp -53.24 -50.35 64.96 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' B' ' 345' ' ' ASN . 3.3 m-85 -66.48 -26.11 67.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.45 -0.781 . . . . 0.0 109.001 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.414 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -63.59 -37.45 87.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.352 -0.842 . . . . 0.0 108.953 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.461 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 49.0 tp10 -70.31 -49.07 53.31 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.271 -0.893 . . . . 0.0 108.797 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.492 ' HB3' HD13 ' C' ' 344' ' ' LEU . 1.2 mm? -60.34 -23.03 63.93 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.582 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.0 OUTLIER -86.62 -25.66 24.81 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' B' ' 350' ' ' LEU . 21.2 tp10 -71.88 -40.79 68.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.422 -0.799 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.507 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . . . -75.97 -46.69 28.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.329 -0.857 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.459 HD22 ' HB1' ' C' ' 347' ' ' ALA . 79.1 mt -55.65 -52.02 65.26 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.127 -0.983 . . . . 0.0 108.961 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.94 -28.54 69.61 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.527 ' CD1' HD12 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -68.74 -29.66 68.11 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.41 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.456 ' HA ' HD23 ' C' ' 350' ' ' LEU . 6.8 tttt -62.26 -41.8 98.77 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.62 -32.26 73.85 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.446 -0.783 . . . . 0.0 109.16 179.721 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.541 ' CZ ' ' HG2' ' D' ' 333' ' ' ARG . 6.3 m-85 -103.31 106.94 17.57 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.237 -0.914 . . . . 0.0 109.51 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 54.9 m-85 -96.59 169.4 9.91 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.22 -0.925 . . . . 0.0 109.155 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.547 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.3 OUTLIER -136.55 133.28 36.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.192 -0.942 . . . . 0.0 109.989 -179.573 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.568 ' CD2' ' ND2' ' D' ' 345' ' ' ASN . 0.1 OUTLIER -114.49 89.36 3.07 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.344 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.2 mt-30 -78.36 113.27 16.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.839 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -111.5 113.54 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 109.398 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.547 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 37.4 mtm180 -76.89 98.3 4.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.417 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 170.53 -118.8 0.77 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 5.1 ttm180 173.78 -66.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.366 -1.079 . . . . 0.0 109.213 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.13 -51.21 70.98 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.201 -0.937 . . . . 0.0 109.07 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' C' ' 340' ' ' MET . 8.6 mtm105 -56.23 -41.24 75.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.255 -0.903 . . . . 0.0 108.916 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 71.8 t80 -57.06 -42.01 79.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.322 -0.861 . . . . 0.0 108.871 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.412 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 17.8 mt-10 -60.22 -40.78 91.37 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.476 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 3.5 mtp -53.29 -50.28 65.22 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' C' ' 345' ' ' ASN . 3.3 m-85 -66.42 -26.08 67.05 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.567 -0.708 . . . . 0.0 109.103 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.412 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -63.55 -37.39 87.15 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.434 -0.791 . . . . 0.0 109.006 179.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.45 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 49.5 tp10 -70.51 -49.35 49.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 108.747 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' B' ' 344' ' ' LEU . 0.9 OUTLIER -60.01 -22.69 62.92 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.051 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.577 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.0 OUTLIER -87.42 -25.27 23.87 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' C' ' 350' ' ' LEU . 21.5 tp10 -72.19 -40.89 67.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.432 -0.793 . . . . 0.0 109.203 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . . . -75.88 -45.49 35.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.309 -0.87 . . . . 0.0 109.38 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' B' ' 344' ' ' LEU . 80.0 mt -56.95 -51.82 67.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.022 -1.049 . . . . 0.0 108.94 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.79 -28.49 69.49 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -68.76 -29.86 68.34 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.447 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.472 ' HA ' HD23 ' B' ' 350' ' ' LEU . 6.7 tttt -61.9 -41.89 98.44 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.82 -32.21 73.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.412 -0.805 . . . . 0.0 108.909 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.454 -0.779 . . . . 0.0 109.304 179.747 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.547 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 6.3 m-85 -103.07 107.01 17.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.371 -0.831 . . . . 0.0 109.493 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 54.8 m-85 -96.74 169.11 10.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.925 . . . . 0.0 109.07 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.547 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.3 OUTLIER -136.38 133.06 36.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.114 -0.992 . . . . 0.0 109.97 -179.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.577 ' CD2' ' ND2' ' C' ' 345' ' ' ASN . 0.1 OUTLIER -114.13 89.35 3.07 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.2 mt-30 -78.43 112.97 16.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.258 -0.901 . . . . 0.0 109.815 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -111.06 113.74 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.326 -0.859 . . . . 0.0 109.399 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.541 ' HG2' ' CZ ' ' C' ' 327' ' ' TYR . 36.6 mtm180 -77.09 98.61 5.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.147 -0.971 . . . . 0.0 109.501 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 170.08 -119.03 0.79 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 5.1 ttm180 174.21 -66.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -1.098 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.12 -50.95 72.08 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.296 -0.878 . . . . 0.0 109.256 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' D' ' 340' ' ' MET . 8.7 mtm105 -56.44 -41.14 75.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.211 -0.93 . . . . 0.0 108.976 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 72.3 t80 -57.15 -41.95 80.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.3 -0.875 . . . . 0.0 108.817 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' D' ' 342' ' ' ARG . 17.8 mt-10 -60.13 -40.99 91.72 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.461 ' SD ' ' HG2' ' B' ' 343' ' ' GLU . 3.6 mtp -53.14 -50.37 64.67 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.453 ' CE1' ' CD1' ' C' ' 348' ' ' LEU . 3.3 m-85 -66.37 -26.15 67.13 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.549 -0.72 . . . . 0.0 109.072 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -63.47 -37.23 86.49 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.326 -0.859 . . . . 0.0 109.03 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.46 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 49.4 tp10 -70.52 -49.66 45.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.272 -0.892 . . . . 0.0 108.694 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.489 HD13 ' HB3' ' A' ' 344' ' ' LEU . 0.8 OUTLIER -60.02 -22.67 62.91 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.568 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.0 OUTLIER -87.2 -25.45 24.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' D' ' 350' ' ' LEU . 21.3 tp10 -71.82 -41.11 68.61 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.338 -0.851 . . . . 0.0 109.205 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.524 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . . . -75.37 -47.16 28.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.291 -0.881 . . . . 0.0 109.391 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' ' 344' ' ' LEU . 78.8 mt -55.44 -52.03 64.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.083 -1.01 . . . . 0.0 108.967 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.97 -28.37 69.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.288 -0.883 . . . . 0.0 108.761 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.524 ' CD2' ' HA ' ' D' ' 347' ' ' ALA . 0.1 OUTLIER -69.05 -29.46 67.6 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.407 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.476 ' HA ' HD23 ' A' ' 350' ' ' LEU . 6.8 tttt -62.17 -41.8 98.67 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.87 -31.95 73.42 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.425 -0.797 . . . . 0.0 108.853 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.352 -0.842 . . . . 0.0 109.322 179.763 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 5.2 m-85 -115.2 108.61 16.82 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.29 -0.881 . . . . 0.0 109.21 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 44.0 m-85 -97.55 174.43 6.66 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.224 -0.922 . . . . 0.0 108.661 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.553 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -136.9 133.77 36.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.105 -0.997 . . . . 0.0 109.732 -179.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.1 OUTLIER -114.64 97.15 6.11 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.661 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.533 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 78.3 mt-30 -88.24 112.05 22.35 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.33 -0.856 . . . . 0.0 108.882 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.27 113.77 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.433 -0.792 . . . . 0.0 110.008 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.508 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 9.7 ttp180 -77.96 91.31 4.2 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.238 -0.914 . . . . 0.0 108.765 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.67 -130.9 1.74 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -173.1 -48.62 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.35 -1.088 . . . . 0.0 108.865 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.28 -31.93 55.17 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.268 -0.895 . . . . 0.0 108.913 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -72.36 -45.88 57.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.221 -0.925 . . . . 0.0 108.6 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CE1' ' CD1' ' B' ' 330' ' ' LEU . 49.9 t80 -62.06 -30.2 70.82 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.218 -0.926 . . . . 0.0 108.603 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.35 -45.33 66.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.23 -0.919 . . . . 0.0 108.9 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.491 ' HE1' HD23 ' C' ' 344' ' ' LEU . 6.4 mtp -49.5 -47.49 48.65 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.994 0.902 . . . . 0.0 109.219 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.434 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 3.2 m-85 -66.72 -39.29 87.95 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.868 0.842 . . . . 0.0 108.963 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 1.8 ttp85 -50.42 -32.46 17.79 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.456 ' HG2' ' HE2' ' C' ' 340' ' ' MET . 2.6 tt0 -74.27 -60.54 2.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.481 -0.762 . . . . 0.0 109.785 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.459 HD23 ' HE1' ' C' ' 340' ' ' MET . 1.4 mm? -57.17 -63.19 1.3 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.955 -1.09 . . . . 0.0 108.638 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 21.5 t-20 -44.85 -30.88 1.06 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.586 -0.696 . . . . 0.0 109.342 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 8.0 mm-40 -69.34 -49.09 58.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.169 -0.957 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' D' ' 347' ' ' ALA . . . -60.69 -44.75 96.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.151 -0.968 . . . . 0.0 109.836 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' D' ' 347' ' ' ALA . 60.9 mt -55.75 -51.76 66.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.969 . . . . 0.0 108.54 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.96 -25.56 65.3 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.537 ' CD1' HD13 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.58 -31.92 67.49 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.1 -1.0 . . . . 0.0 108.514 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.479 ' HA ' HD23 ' D' ' 350' ' ' LEU . 23.0 tttm -63.02 -40.1 96.75 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.96 -25.58 61.92 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.18 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.725 0 O-C-N 121.303 -0.873 . . . . 0.0 109.868 -179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 4.9 m-85 -116.12 104.69 11.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.216 -0.927 . . . . 0.0 109.691 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 46.9 m-85 -95.29 169.09 10.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.064 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.553 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.3 OUTLIER -131.21 140.34 49.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.263 -0.898 . . . . 0.0 109.691 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -120.34 90.51 3.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.355 -0.841 . . . . 0.0 108.791 179.437 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 74.5 mt-30 -82.09 112.01 18.75 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.86 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' B' ' 338' ' ' PHE . 3.2 mt -106.46 114.99 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.329 -0.857 . . . . 0.0 109.527 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.53 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 9.7 ttp180 -79.37 90.38 5.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 0.0 108.976 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.14 -129.68 1.51 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -173.16 -49.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -1.053 . . . . 0.0 108.923 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.0 -31.54 59.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.331 -0.856 . . . . 0.0 109.004 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -72.82 -46.37 53.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.363 -0.836 . . . . 0.0 108.946 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.491 ' CE1' HD11 ' A' ' 330' ' ' LEU . 49.9 t80 -61.76 -29.85 70.4 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.68 -47.01 62.07 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.473 ' HE2' ' HG2' ' D' ' 343' ' ' GLU . 7.0 mtp -48.89 -48.05 42.67 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.434 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 3.3 m-85 -66.05 -37.49 85.97 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 1.9 ttp85 -53.17 -28.79 28.16 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.469 ' HG2' ' HE2' ' D' ' 340' ' ' MET . 2.4 tt0 -76.41 -63.07 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.459 -0.776 . . . . 0.0 109.102 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.438 HD13 ' HB3' ' C' ' 344' ' ' LEU . 1.7 mm? -54.13 -67.64 0.25 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.044 -1.035 . . . . 0.0 108.283 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 345' ' ' ASN . 21.9 t30 -41.56 -28.04 0.12 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.646 -0.659 . . . . 0.0 109.676 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 7.4 mm-40 -73.21 -48.3 36.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.187 -0.946 . . . . 0.0 109.449 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.481 ' HB3' HD22 ' C' ' 348' ' ' LEU . . . -60.89 -45.51 94.33 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.199 -0.938 . . . . 0.0 109.472 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' C' ' 347' ' ' ALA . 56.8 mt -55.21 -52.14 64.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.138 -0.976 . . . . 0.0 108.768 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.69 -26.36 65.52 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.282 -0.887 . . . . 0.0 108.697 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -70.26 -34.02 72.31 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.466 ' HA ' HD23 ' C' ' 350' ' ' LEU . 22.6 tttm -61.42 -39.41 90.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.421 -0.799 . . . . 0.0 108.877 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.11 -24.0 60.57 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.415 -0.803 . . . . 0.0 109.189 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.317 -0.864 . . . . 0.0 109.417 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' D' ' 333' ' ' ARG . 4.8 m-85 -116.57 104.42 11.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.156 -0.965 . . . . 0.0 109.572 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 47.2 m-85 -94.07 171.9 8.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.27 -0.894 . . . . 0.0 109.177 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.444 ' CG2' HG23 ' D' ' 329' ' ' THR . 0.2 OUTLIER -134.62 135.84 42.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.115 -0.991 . . . . 0.0 109.81 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -117.02 91.55 3.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.27 -0.894 . . . . 0.0 109.082 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 74.6 mt-30 -82.83 112.37 19.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.375 -0.828 . . . . 0.0 109.61 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' C' ' 338' ' ' PHE . 3.2 mt -107.0 114.71 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.383 -0.823 . . . . 0.0 109.633 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.576 ' HB2' ' CE1' ' D' ' 327' ' ' TYR . 10.2 ttp180 -78.51 90.5 4.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.255 -0.903 . . . . 0.0 109.262 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.2 -130.71 1.73 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -171.54 -49.08 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.333 -1.098 . . . . 0.0 109.034 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.14 -31.82 58.79 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.349 -0.845 . . . . 0.0 109.023 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -72.69 -46.05 55.69 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.287 -0.883 . . . . 0.0 108.739 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' D' ' 330' ' ' LEU . 49.5 t80 -61.99 -30.35 70.88 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.22 -46.87 63.61 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.459 ' HE1' HD23 ' A' ' 344' ' ' LEU . 7.3 mtp -48.71 -48.18 40.6 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.3 m-85 -65.99 -37.61 86.39 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 ttp85 -53.0 -27.92 21.49 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.3 tt0 -77.53 -62.8 1.54 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.491 HD23 ' HE1' ' A' ' 340' ' ' MET . 1.5 mm? -54.03 -68.09 0.21 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.064 -1.022 . . . . 0.0 108.308 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' C' ' 345' ' ' ASN . 22.0 t30 -41.14 -29.44 0.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.652 -0.655 . . . . 0.0 109.927 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 7.7 mm-40 -72.15 -48.32 44.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.151 -0.968 . . . . 0.0 109.775 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.481 ' HB3' HD22 ' B' ' 348' ' ' LEU . . . -61.44 -42.43 98.75 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.297 -0.877 . . . . 0.0 109.362 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' B' ' 347' ' ' ALA . 60.4 mt -58.14 -51.89 67.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.039 -1.038 . . . . 0.0 108.682 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.5 -26.2 65.09 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.305 -0.872 . . . . 0.0 108.787 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.532 ' CD1' HD13 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -70.48 -33.2 70.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.514 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.473 ' HA ' HD23 ' B' ' 350' ' ' LEU . 23.0 tttm -62.12 -38.97 90.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.475 -0.766 . . . . 0.0 108.986 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.3 -23.99 60.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.324 -0.86 . . . . 0.0 109.054 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 0.0 109.472 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' C' ' 333' ' ' ARG . 4.8 m-85 -116.36 104.88 11.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.139 -0.975 . . . . 0.0 109.657 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 47.8 m-85 -94.55 171.6 8.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -0.924 . . . . 0.0 109.105 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.444 HG23 ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -134.34 136.22 43.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.221 -0.924 . . . . 0.0 109.834 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.518 HD11 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -117.3 91.7 3.65 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.382 -0.824 . . . . 0.0 109.064 179.552 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 74.4 mt-30 -82.85 112.61 19.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.249 -0.907 . . . . 0.0 109.629 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' D' ' 338' ' ' PHE . 3.2 mt -107.1 114.59 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.285 -0.885 . . . . 0.0 109.614 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' C' ' 327' ' ' TYR . 10.0 ttp180 -78.43 90.86 4.45 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.249 -0.907 . . . . 0.0 109.356 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.89 -130.38 1.69 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -171.87 -48.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -1.119 . . . . 0.0 109.08 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.24 -31.63 58.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.419 -0.8 . . . . 0.0 109.075 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -72.77 -46.05 55.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.295 -0.878 . . . . 0.0 108.762 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' C' ' 330' ' ' LEU . 50.5 t80 -62.03 -30.16 70.77 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.267 -0.896 . . . . 0.0 108.714 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.35 -46.78 63.46 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.245 -0.909 . . . . 0.0 108.689 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.469 ' HE2' ' HG2' ' B' ' 343' ' ' GLU . 7.2 mtp -48.93 -48.44 42.79 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 3.3 m-85 -65.6 -37.06 85.55 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 ttp85 -53.72 -28.02 31.63 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.473 ' HG2' ' HE2' ' B' ' 340' ' ' MET . 2.3 tt0 -77.08 -63.05 1.45 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.477 -0.764 . . . . 0.0 109.099 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.448 HD23 ' HE1' ' B' ' 340' ' ' MET . 1.5 mm? -54.25 -67.45 0.26 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.095 -1.003 . . . . 0.0 108.412 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.46 ' O ' ' OD1' ' D' ' 345' ' ' ASN . 22.9 t30 -41.48 -29.17 0.15 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.585 -0.697 . . . . 0.0 109.738 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 7.6 mm-40 -71.96 -48.54 44.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 109.595 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.481 ' HB3' HD22 ' A' ' 348' ' ' LEU . . . -60.77 -45.19 95.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.271 -0.893 . . . . 0.0 109.385 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' A' ' 347' ' ' ALA . 61.2 mt -55.6 -52.22 64.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.183 -0.948 . . . . 0.0 108.789 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.6 -26.63 65.61 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -69.86 -33.8 72.74 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.477 ' HA ' HD23 ' A' ' 350' ' ' LEU . 23.0 tttm -62.04 -38.68 89.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.477 -0.764 . . . . 0.0 108.956 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.84 -23.97 59.7 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.31 -0.868 . . . . 0.0 109.03 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.332 -0.855 . . . . 0.0 109.491 179.858 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.272 0.558 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.59 ' CD1' ' HG2' ' B' ' 333' ' ' ARG . 20.2 m-30 -114.37 126.3 54.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.265 -0.897 . . . . 0.0 109.546 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.587 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 74.3 m-85 -122.36 138.59 54.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.349 -0.844 . . . . 0.0 108.99 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.458 HG23 HG23 ' B' ' 329' ' ' THR . 0.2 OUTLIER -102.81 131.97 49.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.938 -1.101 . . . . 0.0 109.695 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.485 HD23 ' ND2' ' B' ' 345' ' ' ASN . 0.7 OUTLIER -114.54 96.32 5.69 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 54.5 tt0 -89.25 109.97 20.79 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.269 -0.895 . . . . 0.0 109.264 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 6.1 mt -110.01 127.87 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.395 -0.816 . . . . 0.0 109.755 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.552 ' HG2' ' CD1' ' B' ' 327' ' ' TYR . 23.4 mtm105 -89.98 107.02 18.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.315 -0.866 . . . . 0.0 109.008 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 335' ' ' ARG . . . 171.98 -114.2 0.52 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 334' ' ' GLY . 7.2 ttt180 164.08 -39.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.552 -0.969 . . . . 0.0 108.928 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -84.77 -47.21 10.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.485 ' CD ' ' CD1' ' B' ' 348' ' ' LEU . 2.2 mtm180 -61.51 -38.01 85.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.303 -0.873 . . . . 0.0 109.06 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 58.3 t80 -62.38 -30.89 71.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 108.93 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.24 -44.71 64.8 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.292 -0.88 . . . . 0.0 109.325 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.487 ' O ' HD21 ' A' ' 344' ' ' LEU . 13.7 mtm -54.93 -46.03 74.9 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.485 -0.759 . . . . 0.0 109.655 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -66.94 -38.87 86.94 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.723 0.773 . . . . 0.0 109.899 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 1.8 mtp180 -51.68 -38.66 55.96 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -73.83 -53.21 10.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.421 -0.799 . . . . 0.0 110.002 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.506 ' HB3' HD13 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -47.14 -60.6 2.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.193 -0.942 . . . . 0.0 109.661 -179.422 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.459 ' C ' ' OD1' ' A' ' 345' ' ' ASN . 4.8 p30 -63.71 -22.74 67.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.13 -0.981 . . . . 0.0 109.862 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' A' ' 343' ' ' GLU . 11.5 tt0 -61.67 -46.28 90.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.941 -1.1 . . . . 0.0 109.67 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.467 ' HA ' HD22 ' A' ' 350' ' ' LEU . . . -71.74 -46.59 58.07 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.209 -0.932 . . . . 0.0 109.969 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.462 HD12 ' HG2' ' B' ' 337' ' ' ARG . 50.8 mt -48.64 -50.92 30.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.137 -0.977 . . . . 0.0 108.788 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -35.03 74.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.117 -0.989 . . . . 0.0 108.551 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.542 HD23 ' CA ' ' D' ' 351' ' ' LYS . 0.2 OUTLIER -61.59 -30.2 70.52 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.532 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 17.8 tttt -63.43 -45.16 92.23 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -15.19 62.41 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.491 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.729 0 O-C-N 121.236 -0.915 . . . . 0.0 110.043 -179.769 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.274 0.559 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 333' ' ' ARG . 20.6 m-30 -113.59 126.56 55.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.59 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 74.1 m-85 -122.86 138.18 54.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.322 -0.861 . . . . 0.0 109.197 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.458 HG23 HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -101.31 138.1 38.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.973 -1.079 . . . . 0.0 109.37 179.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -120.63 88.44 2.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 109.091 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 52.4 tt0 -81.39 110.87 17.22 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.242 -0.911 . . . . 0.0 110.084 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -110.89 127.99 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.315 -0.866 . . . . 0.0 109.082 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.59 ' HG2' ' CD1' ' A' ' 327' ' ' TYR . 24.2 mtm105 -90.7 105.79 18.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.335 -0.853 . . . . 0.0 109.212 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' B' ' 335' ' ' ARG . . . 172.88 -112.58 0.44 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' B' ' 334' ' ' GLY . 7.7 ttt180 162.95 -39.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.541 -0.976 . . . . 0.0 108.925 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -84.26 -46.61 11.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 0.0 109.323 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.462 ' HG2' HD12 ' A' ' 348' ' ' LEU . 2.6 mtm180 -61.92 -39.46 92.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.154 -0.966 . . . . 0.0 109.225 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 58.3 t80 -61.41 -29.76 70.14 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.28 -0.888 . . . . 0.0 109.093 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.59 -45.97 56.54 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.368 -0.832 . . . . 0.0 108.977 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.483 ' O ' HD21 ' B' ' 344' ' ' LEU . 19.2 mtm -54.52 -47.61 72.93 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.266 -0.896 . . . . 0.0 108.965 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.15 -38.69 91.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.732 . . . . 0.0 109.44 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 1.5 mtp180 -52.44 -36.63 55.05 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.327 -0.858 . . . . 0.0 109.317 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' B' ' 346' ' ' GLU . 0.4 OUTLIER -75.85 -52.27 10.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.504 -0.747 . . . . 0.0 109.873 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.525 ' HB3' HD13 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -47.66 -60.64 2.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.118 -0.989 . . . . 0.0 109.512 -179.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.485 ' ND2' HD23 ' A' ' 330' ' ' LEU . 4.1 p30 -63.19 -22.34 66.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.21 -0.931 . . . . 0.0 109.8 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' B' ' 343' ' ' GLU . 11.4 tt0 -62.4 -47.18 85.24 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.093 -1.005 . . . . 0.0 109.639 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.48 ' HA ' HD22 ' B' ' 350' ' ' LEU . . . -70.52 -48.19 56.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.164 -0.96 . . . . 0.0 109.644 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.485 ' CD1' ' CD ' ' A' ' 337' ' ' ARG . 57.2 mt -46.83 -51.94 15.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 109.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -36.39 76.96 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.304 -0.873 . . . . 0.0 108.658 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.531 HD23 ' CA ' ' C' ' 351' ' ' LYS . 0.2 OUTLIER -59.22 -31.85 69.42 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.35 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.534 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 17.8 tttt -62.15 -44.52 96.43 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.39 -13.97 61.59 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.449 -0.782 . . . . 0.0 109.443 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.221 -0.925 . . . . 0.0 109.775 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.234 0.54 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' D' ' 333' ' ' ARG . 20.4 m-30 -114.1 126.53 55.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.395 -0.815 . . . . 0.0 109.518 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.579 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 75.5 m-85 -122.49 138.32 54.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.36 -0.837 . . . . 0.0 109.146 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.448 HG23 HG23 ' D' ' 329' ' ' THR . 0.2 OUTLIER -102.24 133.91 46.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.051 -1.031 . . . . 0.0 109.686 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.436 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.7 OUTLIER -116.96 90.51 3.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.359 -0.838 . . . . 0.0 109.188 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 53.1 tt0 -83.17 111.3 18.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.282 -0.887 . . . . 0.0 109.851 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.33 127.77 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.301 -0.875 . . . . 0.0 109.273 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.575 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 24.8 mtm105 -90.25 106.5 18.53 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.471 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 171.93 -113.04 0.47 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 7.1 ttt180 163.83 -39.9 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.436 -1.037 . . . . 0.0 108.937 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -83.8 -47.25 11.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.365 -0.834 . . . . 0.0 109.336 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.457 ' HG2' HD12 ' D' ' 348' ' ' LEU . 2.5 mtm180 -61.48 -38.98 89.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.314 -0.866 . . . . 0.0 109.262 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.591 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 59.0 t80 -61.67 -30.39 70.7 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.149 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -71.8 -45.41 61.63 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 109.093 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.498 ' O ' HD21 ' C' ' 344' ' ' LEU . 18.6 mtm -55.1 -45.64 75.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.331 -0.855 . . . . 0.0 109.006 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -66.77 -38.64 86.99 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.406 -0.809 . . . . 0.0 109.482 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 mtp180 -52.27 -36.02 51.61 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.315 -0.866 . . . . 0.0 109.375 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -76.59 -52.66 9.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.308 -0.87 . . . . 0.0 109.698 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' B' ' 344' ' ' LEU . 0.5 OUTLIER -47.2 -61.45 1.89 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.315 -0.865 . . . . 0.0 109.424 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.457 ' C ' ' OD1' ' C' ' 345' ' ' ASN . 5.0 p30 -63.08 -22.46 66.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.06 -1.025 . . . . 0.0 110.045 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.456 ' HB3' ' O ' ' C' ' 343' ' ' GLU . 11.8 tt0 -62.26 -46.85 86.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.98 -1.075 . . . . 0.0 109.586 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.466 ' HA ' HD22 ' C' ' 350' ' ' LEU . . . -70.47 -47.46 60.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.614 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' D' ' 337' ' ' ARG . 56.5 mt -47.91 -52.1 20.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.023 -1.048 . . . . 0.0 109.118 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -36.34 76.21 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.534 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.2 OUTLIER -59.61 -31.17 69.24 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.49 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.531 ' CA ' HD23 ' B' ' 350' ' ' LEU . 18.0 tttt -62.67 -44.27 96.69 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -13.81 61.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.411 -0.806 . . . . 0.0 109.402 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 109.741 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.277 0.56 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' C' ' 333' ' ' ARG . 20.4 m-30 -114.28 126.6 55.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.591 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 76.5 m-85 -122.58 138.43 54.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.279 -0.888 . . . . 0.0 109.118 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.448 HG23 HG23 ' C' ' 329' ' ' THR . 0.2 OUTLIER -102.13 134.61 45.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.081 -1.012 . . . . 0.0 109.597 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.439 HD23 ' ND2' ' C' ' 345' ' ' ASN . 0.7 OUTLIER -117.66 90.44 3.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.886 . . . . 0.0 109.122 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.457 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 53.2 tt0 -82.9 111.13 18.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.327 -0.858 . . . . 0.0 109.86 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.12 127.82 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 0.0 109.349 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.586 ' HG2' ' CD1' ' C' ' 327' ' ' TYR . 24.6 mtm105 -90.28 106.63 18.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 0.0 109.406 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' D' ' 335' ' ' ARG . . . 171.74 -112.87 0.46 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' D' ' 334' ' ' GLY . 7.2 ttt180 163.67 -40.11 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.47 -1.018 . . . . 0.0 108.916 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -83.75 -47.16 11.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.241 -0.912 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.459 ' HG2' HD12 ' C' ' 348' ' ' LEU . 2.5 mtm180 -61.53 -38.91 89.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.213 -0.929 . . . . 0.0 109.216 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 58.6 t80 -61.75 -30.48 70.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.287 -0.883 . . . . 0.0 109.039 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -71.69 -45.54 61.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.37 -0.831 . . . . 0.0 109.07 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.482 ' O ' HD21 ' D' ' 344' ' ' LEU . 18.8 mtm -55.05 -45.49 75.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.331 -0.855 . . . . 0.0 109.139 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -66.86 -38.79 87.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.816 . . . . 0.0 109.32 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 mtp180 -52.18 -35.91 50.27 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.385 -0.822 . . . . 0.0 109.453 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -76.73 -52.1 10.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.303 -0.873 . . . . 0.0 109.632 -179.83 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 344' ' ' LEU . 0.5 OUTLIER -47.82 -61.37 1.98 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.91 . . . . 0.0 109.549 -179.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.463 ' C ' ' OD1' ' D' ' 345' ' ' ASN . 4.9 p30 -63.11 -22.06 66.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.163 -0.96 . . . . 0.0 110.009 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 11.6 tt0 -62.46 -47.04 85.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.084 -1.01 . . . . 0.0 109.468 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.468 ' HA ' HD22 ' D' ' 350' ' ' LEU . . . -70.4 -47.74 59.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 109.643 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.457 HD12 ' HG2' ' C' ' 337' ' ' ARG . 57.4 mt -47.48 -51.93 18.83 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.146 -0.971 . . . . 0.0 109.104 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -36.54 77.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 0.0 108.722 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.532 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.2 OUTLIER -59.29 -31.42 69.11 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.385 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.542 ' CA ' HD23 ' A' ' 350' ' ' LEU . 18.4 tttt -62.59 -44.47 96.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.436 -0.79 . . . . 0.0 108.952 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.31 -14.08 61.65 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.452 -0.78 . . . . 0.0 109.283 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 0.0 109.786 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.574 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -99.55 111.5 23.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.171 -0.956 . . . . 0.0 109.593 -179.738 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.554 ' CZ ' ' HD2' ' B' ' 335' ' ' ARG . 52.3 m-85 -104.29 161.86 13.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -0.915 . . . . 0.0 109.495 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.573 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -120.52 132.64 55.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.211 -0.931 . . . . 0.0 109.873 -179.659 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.492 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -113.26 94.76 5.03 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 178.001 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -86.93 119.55 27.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 109.034 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.472 HG12 ' OD1' ' B' ' 345' ' ' ASN . 4.8 mt -126.4 126.4 69.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.423 -0.798 . . . . 0.0 109.626 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.577 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 2.8 mtm105 -79.94 138.5 37.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.256 -0.903 . . . . 0.0 109.064 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 132.91 -131.92 6.35 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.545 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER 178.35 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.439 -1.036 . . . . 0.0 108.902 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -41.45 81.31 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.295 -0.878 . . . . 0.0 108.917 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -67.31 -39.58 85.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.329 -0.857 . . . . 0.0 108.791 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.495 ' CZ ' ' HG ' ' B' ' 330' ' ' LEU . 53.5 t80 -61.21 -30.79 70.64 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -72.61 -39.11 67.53 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.38 -0.825 . . . . 0.0 109.218 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.452 ' CE ' HD23 ' C' ' 344' ' ' LEU . 10.1 mtp -57.78 -54.34 48.01 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.93 0.871 . . . . 0.0 109.49 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' B' ' 344' ' ' LEU . 9.5 m-85 -63.14 -36.38 83.44 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.598 0.713 . . . . 0.0 109.465 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -40.02 67.97 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.94 -43.89 82.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.399 -0.813 . . . . 0.0 109.018 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.53 HD23 ' CE ' ' C' ' 340' ' ' MET . 0.9 OUTLIER -61.7 -26.97 68.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.169 -0.957 . . . . 0.0 109.118 179.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.443 ' OD1' HG12 ' B' ' 332' ' ' ILE . 1.1 m-80 -84.86 -19.49 32.31 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.184 -0.948 . . . . 0.0 108.935 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -71.83 -45.31 61.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.518 -0.739 . . . . 0.0 109.051 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.452 ' HA ' HD22 ' A' ' 350' ' ' LEU . . . -74.11 -48.79 27.22 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.324 -0.86 . . . . 0.0 109.269 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.512 HD13 ' CD1' ' D' ' 344' ' ' LEU . 66.2 mt -52.26 -51.92 55.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 108.804 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -60.15 -31.55 70.2 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.293 -0.879 . . . . 0.0 108.649 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.527 ' C ' ' CD1' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -65.38 -31.18 72.15 Favored 'General case' 0 C--N 1.311 -1.095 0 O-C-N 120.959 -1.088 . . . . 0.0 108.397 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.5 ' CA ' HD23 ' D' ' 350' ' ' LEU . 7.1 ttpp -66.06 -40.13 90.66 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.96 -38.08 69.89 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.414 -0.804 . . . . 0.0 109.31 179.272 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.28 0.562 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -99.06 112.2 24.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 109.554 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.545 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 52.1 m-85 -105.55 160.65 15.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.199 -0.938 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.573 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.85 141.68 48.15 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 0.0 109.225 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.495 ' HG ' ' CZ ' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -122.37 81.37 1.83 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 32.1 mt-30 -74.21 122.34 22.65 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.354 -0.841 . . . . 0.0 110.104 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.443 HG12 ' OD1' ' A' ' 345' ' ' ASN . 4.5 mt -129.14 126.91 65.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.419 -0.801 . . . . 0.0 108.853 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 2.7 mtm105 -81.36 138.07 35.67 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.23 -0.919 . . . . 0.0 109.251 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 132.65 -131.32 6.14 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER 178.48 -50.12 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -1.065 . . . . 0.0 108.907 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -41.31 82.53 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.337 -0.852 . . . . 0.0 109.059 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -67.33 -41.22 85.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.313 -0.867 . . . . 0.0 108.923 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.492 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 52.8 t80 -59.59 -31.0 69.06 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.09 -39.74 65.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.364 -0.835 . . . . 0.0 108.751 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.489 ' CE ' HD23 ' D' ' 344' ' ' LEU . 10.6 mtp -57.61 -55.33 36.27 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.337 -0.852 . . . . 0.0 108.901 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 344' ' ' LEU . 12.8 m-85 -62.59 -34.71 77.55 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.465 -0.772 . . . . 0.0 109.233 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -41.32 72.92 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.275 -0.891 . . . . 0.0 108.819 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.3 -43.19 91.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.41 -0.806 . . . . 0.0 109.184 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.526 HD23 ' CE ' ' D' ' 340' ' ' MET . 0.8 OUTLIER -62.91 -25.32 68.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.283 -0.886 . . . . 0.0 108.877 179.751 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.472 ' OD1' HG12 ' A' ' 332' ' ' ILE . 1.1 m-80 -86.72 -17.96 32.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 108.83 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -73.12 -45.6 55.98 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.462 ' HA ' HD22 ' B' ' 350' ' ' LEU . . . -73.41 -49.52 26.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.331 -0.856 . . . . 0.0 109.164 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.524 HD13 ' CD1' ' C' ' 344' ' ' LEU . 58.5 mt -52.05 -51.33 58.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.065 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -60.74 -33.32 72.75 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.279 -0.888 . . . . 0.0 108.776 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -63.21 -32.43 73.82 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.507 ' CA ' HD23 ' C' ' 350' ' ' LEU . 7.1 ttpp -65.63 -40.18 92.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.423 -0.798 . . . . 0.0 108.873 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.03 -35.16 66.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.385 -0.822 . . . . 0.0 108.926 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.445 -0.784 . . . . 0.0 109.251 179.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.277 0.56 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.534 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 0.2 OUTLIER -99.47 111.33 23.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.195 -0.941 . . . . 0.0 109.53 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.487 ' CZ ' ' HD2' ' D' ' 335' ' ' ARG . 51.8 m-85 -104.05 161.93 13.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.246 -0.909 . . . . 0.0 109.575 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.559 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.3 OUTLIER -120.17 135.67 54.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.209 -0.932 . . . . 0.0 109.773 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.481 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -116.77 84.42 2.14 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.388 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 30.6 mt-30 -76.73 122.11 24.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.308 -0.87 . . . . 0.0 109.911 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.446 HG12 ' OD1' ' D' ' 345' ' ' ASN . 4.5 mt -129.22 125.95 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.395 -0.816 . . . . 0.0 109.162 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 2.7 mtm105 -80.05 137.8 36.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.178 -0.952 . . . . 0.0 109.588 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 132.59 -131.37 6.17 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.472 ' HD2' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER 179.0 -50.82 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.354 -1.086 . . . . 0.0 109.094 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -41.64 84.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 0.0 108.989 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -67.2 -40.82 86.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.253 -0.904 . . . . 0.0 109.0 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.481 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 53.2 t80 -59.92 -31.43 69.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.232 -0.918 . . . . 0.0 108.695 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.3 -39.82 67.99 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.53 ' CE ' HD23 ' A' ' 344' ' ' LEU . 11.0 mtp -57.58 -55.08 39.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.455 -0.778 . . . . 0.0 109.021 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' D' ' 344' ' ' LEU . 12.8 m-85 -62.56 -34.62 77.32 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.397 -0.814 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -40.92 72.51 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.249 -0.907 . . . . 0.0 108.898 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.55 -43.19 90.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.284 -0.885 . . . . 0.0 109.05 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.563 ' HB3' ' CZ ' ' D' ' 341' ' ' PHE . 0.5 OUTLIER -63.21 -25.23 68.24 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.369 -0.832 . . . . 0.0 108.998 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.468 ' OD1' HG12 ' D' ' 332' ' ' ILE . 1.1 m-80 -86.86 -18.46 30.86 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -73.11 -45.7 55.49 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.405 -0.81 . . . . 0.0 108.993 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' B' ' 348' ' ' LEU . . . -73.16 -48.07 38.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.355 -0.841 . . . . 0.0 109.106 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' B' ' 344' ' ' LEU . 59.8 mt -53.71 -51.81 62.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.182 -0.949 . . . . 0.0 108.961 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -60.14 -33.05 71.63 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.237 -0.914 . . . . 0.0 108.677 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.514 HD12 ' CD1' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -63.44 -32.67 74.18 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.525 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.501 ' CA ' HD23 ' B' ' 350' ' ' LEU . 7.2 ttpp -65.36 -40.02 93.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.413 -0.805 . . . . 0.0 108.889 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.14 -35.09 66.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.386 -0.822 . . . . 0.0 108.959 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.47 0 O-C-N 121.372 -0.83 . . . . 0.0 109.27 179.834 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.557 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 0.2 OUTLIER -99.4 111.67 23.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.911 . . . . 0.0 109.519 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.472 ' CZ ' ' HD2' ' C' ' 335' ' ' ARG . 51.5 m-85 -104.51 162.37 13.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.307 -0.871 . . . . 0.0 109.381 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.559 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.3 OUTLIER -120.71 135.77 55.04 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.28 -0.887 . . . . 0.0 109.668 -179.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.481 ' HG ' ' CZ ' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -116.81 84.42 2.14 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 108.675 179.451 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 30.5 mt-30 -76.54 122.06 24.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.306 -0.871 . . . . 0.0 109.883 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.468 HG12 ' OD1' ' C' ' 345' ' ' ASN . 4.5 mt -129.29 125.79 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.084 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 2.7 mtm105 -79.91 137.93 37.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.185 -0.947 . . . . 0.0 109.748 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 132.39 -131.45 6.24 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.487 ' HD2' ' CZ ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER 179.27 -50.77 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.367 -1.078 . . . . 0.0 109.123 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -41.98 84.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.374 -0.829 . . . . 0.0 109.04 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -66.78 -40.75 88.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.292 -0.88 . . . . 0.0 109.061 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.481 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 53.0 t80 -60.34 -30.93 69.84 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.243 -0.911 . . . . 0.0 108.636 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.68 -39.3 67.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.383 -0.823 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.526 ' CE ' HD23 ' B' ' 344' ' ' LEU . 10.5 mtp -58.21 -55.1 39.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.359 -0.838 . . . . 0.0 108.949 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' C' ' 344' ' ' LEU . 12.6 m-85 -62.5 -34.4 76.8 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.522 -0.736 . . . . 0.0 109.227 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -40.56 73.15 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.259 -0.901 . . . . 0.0 108.944 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.29 -42.12 88.83 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.425 -0.797 . . . . 0.0 109.192 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.551 ' HB3' ' CZ ' ' C' ' 341' ' ' PHE . 0.6 OUTLIER -64.07 -25.21 68.0 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 108.931 179.671 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.446 ' OD1' HG12 ' C' ' 332' ' ' ILE . 1.1 m-80 -86.68 -18.08 32.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.244 -0.91 . . . . 0.0 108.819 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.22 -45.73 54.39 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.483 ' HB1' HD22 ' A' ' 348' ' ' LEU . . . -72.83 -49.68 28.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.343 -0.848 . . . . 0.0 109.033 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.504 HD13 ' CD1' ' A' ' 344' ' ' LEU . 60.1 mt -51.97 -51.65 55.72 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.261 -0.899 . . . . 0.0 109.071 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -60.61 -33.14 72.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.275 -0.891 . . . . 0.0 108.809 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.518 ' CD1' HD12 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -63.45 -32.2 73.57 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.514 ' CA ' HD23 ' A' ' 350' ' ' LEU . 7.3 ttpp -65.83 -39.84 91.21 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.383 -0.823 . . . . 0.0 108.945 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.4 -34.85 67.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.344 -0.848 . . . . 0.0 108.903 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.37 -0.831 . . . . 0.0 109.333 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -102.56 120.42 40.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 109.567 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 47.1 m-85 -108.26 140.51 41.4 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.22 -0.925 . . . . 0.0 109.27 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.454 HG21 HG21 ' B' ' 329' ' ' THR . 0.2 OUTLIER -99.47 130.22 45.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.88 . . . . 0.0 109.733 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.436 HD23 ' ND2' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -114.4 94.75 4.93 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 10.8 tt0 -89.18 109.38 20.25 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.253 -0.905 . . . . 0.0 108.912 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.508 ' CD1' HD11 ' B' ' 330' ' ' LEU . 4.2 mt -107.06 134.17 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.768 . . . . 0.0 109.623 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -84.18 129.21 34.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 109.224 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 137.4 -126.55 3.67 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 3.8 ttt180 176.42 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.412 -1.052 . . . . 0.0 109.07 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.79 -36.81 50.01 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.328 -0.857 . . . . 0.0 109.127 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.456 ' HD2' HD11 ' B' ' 348' ' ' LEU . 24.4 mtm-85 -70.3 -32.41 70.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.253 -0.904 . . . . 0.0 108.805 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 81.1 t80 -67.15 -32.26 73.24 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.19 -0.944 . . . . 0.0 108.527 179.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 18.6 mt-10 -75.11 -36.42 61.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 0.0 108.737 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.474 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 4.4 mtp -55.07 -51.96 64.7 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 122.054 0.93 . . . . 0.0 109.179 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.46 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 10.5 m-30 -65.83 -44.29 86.0 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.481 -0.762 . . . . 0.0 109.269 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.484 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 0.4 OUTLIER -44.22 -33.85 1.69 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.423 ' HG2' ' HE2' ' C' ' 340' ' ' MET . 4.0 tt0 -75.55 -44.13 44.98 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.664 -0.814 . . . . 0.0 108.808 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.485 ' HB3' HD13 ' D' ' 344' ' ' LEU . 1.1 mm? -57.64 -61.77 2.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.25 -0.906 . . . . 0.0 109.273 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' A' ' 342' ' ' ARG . 24.4 p-10 -60.08 -19.15 51.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -0.957 . . . . 0.0 109.22 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 0.2 OUTLIER -64.06 -47.59 79.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.052 -1.03 . . . . 0.0 109.548 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.37 -46.11 61.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.269 -0.895 . . . . 0.0 110.003 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' D' ' 347' ' ' ALA . 58.6 mt -52.59 -47.73 66.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.972 -1.08 . . . . 0.0 108.674 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.39 -32.25 72.18 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.541 ' CD1' HD13 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.03 -28.71 69.67 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.426 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.528 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 23.1 ttpt -65.44 -40.66 93.55 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.75 -38.46 85.23 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.093 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.181 -0.949 . . . . 0.0 109.522 179.757 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -103.02 120.65 41.03 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.155 -0.966 . . . . 0.0 109.483 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 46.2 m-85 -108.88 138.98 44.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.331 -0.856 . . . . 0.0 109.533 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.454 HG21 HG21 ' A' ' 329' ' ' THR . 0.1 OUTLIER -96.34 137.88 34.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.0 109.278 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.508 HD11 ' CD1' ' A' ' 332' ' ' ILE . 0.3 OUTLIER -122.04 83.96 2.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.356 -0.84 . . . . 0.0 108.877 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 12.9 tt0 -79.4 109.4 13.72 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.292 -0.88 . . . . 0.0 110.022 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.36 133.82 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.308 -0.87 . . . . 0.0 109.262 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -84.24 129.08 34.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 137.19 -126.43 3.67 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 3.7 ttt180 176.72 -42.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -1.126 . . . . 0.0 109.131 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -77.35 -35.99 54.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.351 -0.843 . . . . 0.0 109.261 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.437 ' HD2' HD11 ' A' ' 348' ' ' LEU . 26.4 mtm-85 -70.92 -34.1 71.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.12 -0.987 . . . . 0.0 109.045 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -66.05 -30.88 71.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.921 . . . . 0.0 108.528 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 17.6 mt-10 -76.73 -37.4 56.09 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.474 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 4.1 mtp -54.85 -52.78 61.72 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.463 ' O ' ' OD1' ' B' ' 345' ' ' ASN . 11.2 m-30 -65.63 -43.68 88.76 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.415 -0.803 . . . . 0.0 108.863 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.464 ' O ' ' OD1' ' B' ' 345' ' ' ASN . 0.6 OUTLIER -44.51 -31.87 1.24 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.4 -0.812 . . . . 0.0 108.941 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.43 ' HG2' ' HE2' ' D' ' 340' ' ' MET . 4.2 tt0 -77.34 -43.51 32.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.422 -0.799 . . . . 0.0 108.849 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' C' ' 344' ' ' LEU . 1.5 mm? -57.63 -64.18 0.99 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 108.703 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.464 ' OD1' ' O ' ' B' ' 342' ' ' ARG . 27.6 p-10 -58.07 -16.63 13.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.447 -0.783 . . . . 0.0 109.45 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 0.2 OUTLIER -67.87 -46.63 71.16 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.219 -0.926 . . . . 0.0 109.338 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.454 ' CB ' HD22 ' C' ' 348' ' ' LEU . . . -71.55 -46.92 58.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.519 HD22 ' CB ' ' C' ' 347' ' ' ALA . 62.5 mt -51.79 -48.45 63.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.187 -0.946 . . . . 0.0 109.039 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.97 -34.07 74.19 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.28 -0.887 . . . . 0.0 108.649 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -62.15 -30.77 71.27 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.459 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.531 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 23.0 ttpt -63.4 -40.57 97.58 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.23 -37.48 83.19 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.411 -0.806 . . . . 0.0 109.153 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.235 -0.915 . . . . 0.0 109.206 179.711 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.319 0.581 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -102.9 120.64 40.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.212 -0.93 . . . . 0.0 109.445 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 46.1 m-85 -108.56 139.43 43.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.217 -0.927 . . . . 0.0 109.52 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.47 133.23 42.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.651 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.442 HD23 ' ND2' ' D' ' 345' ' ' ASN . 0.3 OUTLIER -117.84 86.9 2.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.388 -0.82 . . . . 0.0 109.031 179.581 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.464 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.7 tt0 -82.01 109.52 16.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.302 -0.874 . . . . 0.0 109.693 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -107.39 134.57 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.884 . . . . 0.0 109.188 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -84.43 128.93 34.86 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.231 -0.918 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 137.13 -126.24 3.62 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 3.4 ttt180 176.91 -42.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.404 -1.057 . . . . 0.0 109.116 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.99 -36.77 56.17 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.29 -0.881 . . . . 0.0 109.234 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.423 ' HD2' HD11 ' D' ' 348' ' ' LEU . 26.1 mtm-85 -70.35 -33.6 71.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.277 -0.889 . . . . 0.0 108.934 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -66.23 -31.58 72.48 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 17.9 mt-10 -76.01 -37.22 58.68 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.474 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 4.0 mtp -54.75 -52.25 63.11 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.455 ' O ' ' OD1' ' C' ' 345' ' ' ASN . 11.1 m-30 -66.0 -43.95 86.22 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.381 -0.825 . . . . 0.0 109.04 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -43.69 -32.3 0.96 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.326 -0.858 . . . . 0.0 108.817 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.04 -43.7 33.57 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.474 ' HB3' HD13 ' B' ' 344' ' ' LEU . 1.2 mm? -57.49 -64.15 0.99 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.267 -0.896 . . . . 0.0 108.77 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' C' ' 341' ' ' PHE . 26.3 p-10 -58.5 -16.46 15.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 109.571 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 0.2 OUTLIER -67.92 -46.64 70.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.165 -0.959 . . . . 0.0 109.252 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.519 ' CB ' HD22 ' B' ' 348' ' ' LEU . . . -71.55 -45.34 62.58 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.386 -0.821 . . . . 0.0 109.564 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' B' ' 347' ' ' ALA . 66.0 mt -53.71 -48.36 69.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.114 -0.991 . . . . 0.0 109.134 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -60.71 -34.55 74.56 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.539 ' CD1' HD13 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -61.87 -30.44 70.86 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.513 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.531 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 23.1 ttpt -63.68 -40.05 95.85 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.44 -37.44 83.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.341 -0.849 . . . . 0.0 109.223 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.918 . . . . 0.0 109.24 179.735 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -103.03 120.6 40.95 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.897 . . . . 0.0 109.492 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 46.6 m-85 -108.58 139.52 43.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.335 -0.853 . . . . 0.0 109.519 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.66 133.22 42.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.217 -0.927 . . . . 0.0 109.618 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.45 HD23 ' ND2' ' C' ' 345' ' ' ASN . 0.3 OUTLIER -117.79 87.03 2.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.341 -0.849 . . . . 0.0 109.032 179.611 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 12.8 tt0 -82.02 109.18 16.12 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.308 -0.87 . . . . 0.0 109.831 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.43 ' CD1' HD11 ' C' ' 330' ' ' LEU . 4.3 mt -106.84 134.65 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -84.58 129.01 34.89 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.875 . . . . 0.0 109.538 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 136.96 -126.57 3.75 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 3.6 ttt180 177.09 -42.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.408 -1.054 . . . . 0.0 109.101 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -77.34 -36.7 53.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.233 -0.917 . . . . 0.0 109.165 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.0 mtm-85 -70.49 -33.38 71.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 108.924 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -66.35 -31.75 72.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.218 -0.926 . . . . 0.0 108.623 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 18.2 mt-10 -75.94 -37.12 59.03 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.474 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.9 mtp -54.8 -52.24 63.28 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.451 ' O ' ' OD1' ' D' ' 345' ' ' ASN . 11.1 m-30 -65.87 -43.94 86.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.459 -0.776 . . . . 0.0 108.985 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -43.95 -31.95 1.01 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' B' ' 340' ' ' MET . 4.0 tt0 -77.34 -43.38 33.17 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 344' ' ' LEU . 1.0 OUTLIER -57.98 -64.01 1.06 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.313 -0.867 . . . . 0.0 108.749 179.488 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.451 ' OD1' ' O ' ' D' ' 341' ' ' PHE . 26.1 p-10 -58.5 -16.15 14.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 109.529 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 0.2 OUTLIER -68.03 -46.29 71.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.925 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.514 ' CB ' HD22 ' A' ' 348' ' ' LEU . . . -71.8 -46.43 58.25 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.265 -0.897 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.423 HD11 ' HD2' ' C' ' 337' ' ' ARG . 66.7 mt -52.58 -48.5 66.17 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.118 -0.989 . . . . 0.0 109.166 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -60.8 -34.6 74.76 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.541 HD13 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -61.47 -30.83 70.85 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.368 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.533 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 22.8 ttpt -63.72 -40.19 96.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.339 -0.851 . . . . 0.0 108.77 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.51 -37.29 83.17 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.333 -0.854 . . . . 0.0 109.075 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.211 -0.931 . . . . 0.0 109.227 179.694 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.32 0.581 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -99.37 114.6 27.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.608 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.587 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 84.2 m-85 -110.15 165.19 11.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.072 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.556 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -127.72 132.01 49.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.164 -0.96 . . . . 0.0 109.792 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.542 HD13 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -112.41 94.41 4.91 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 6.1 tt0 -88.94 116.23 27.07 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.273 -0.892 . . . . 0.0 108.999 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.412 HD13 HD21 ' A' ' 330' ' ' LEU . 3.5 mt -118.18 120.38 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.372 -0.83 . . . . 0.0 109.935 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -81.07 90.76 6.02 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 178.68 -151.9 10.85 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -154.55 -46.14 0.09 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.222 -1.164 . . . . 0.0 109.016 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.53 -48.67 31.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.249 -0.907 . . . . 0.0 109.188 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -61.89 -45.4 93.92 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.238 -0.914 . . . . 0.0 108.864 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 44.7 t80 -58.85 -36.57 74.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.281 -0.887 . . . . 0.0 108.948 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.18 -34.4 76.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.053 -1.03 . . . . 0.0 108.86 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.468 ' HE2' HD23 ' C' ' 344' ' ' LEU . 3.6 mtm -59.7 -40.82 89.2 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.903 0.858 . . . . 0.0 109.145 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' B' ' 345' ' ' ASN . 3.7 m-30 -75.98 -30.78 58.71 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.889 0.852 . . . . 0.0 109.366 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.48 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 0.0 OUTLIER -59.83 -40.46 88.56 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.423 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 346' ' ' GLU . 28.3 tt0 -76.56 -50.9 12.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.155 -0.966 . . . . 0.0 109.464 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.483 ' HB3' HD13 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -48.6 -60.35 2.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.36 -0.838 . . . . 0.0 109.399 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 346' ' ' GLU . 43.9 p-10 -66.86 -19.29 65.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.848 . . . . 0.0 110.061 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' A' ' 345' ' ' ASN . 2.4 tt0 -65.83 -51.7 56.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.886 -1.134 . . . . 0.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' D' ' 347' ' ' ALA . . . -67.15 -38.01 84.77 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.268 -0.895 . . . . 0.0 109.525 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.495 ' CD2' ' HB1' ' D' ' 347' ' ' ALA . 92.5 mt -56.57 -49.22 75.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.161 -0.962 . . . . 0.0 108.864 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -64.85 -24.89 67.68 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.526 ' CD2' ' HB2' ' D' ' 351' ' ' LYS . 0.1 OUTLIER -70.77 -26.09 63.19 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.268 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.56 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 27.9 ttmt -69.06 -45.75 69.56 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.83 -33.1 71.32 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.361 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 109.813 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.343 0.592 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -98.2 115.35 28.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.419 -0.8 . . . . 0.0 109.7 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 83.6 m-85 -111.71 162.89 14.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.873 . . . . 0.0 109.263 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.556 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -124.51 139.05 54.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.269 -0.894 . . . . 0.0 109.478 179.724 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -118.75 84.13 2.13 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.495 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.7 tt0 -79.52 117.24 20.28 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.292 -0.88 . . . . 0.0 109.908 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.405 HD13 HD21 ' B' ' 330' ' ' LEU . 3.5 mt -118.55 122.34 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.352 -0.843 . . . . 0.0 109.155 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -83.6 88.17 7.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.348 -0.845 . . . . 0.0 109.079 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.95 -149.81 8.48 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -155.18 -46.34 0.08 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.341 -1.094 . . . . 0.0 109.129 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.73 -48.48 38.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.152 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -62.27 -46.79 87.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.214 -0.929 . . . . 0.0 109.1 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 45.3 t80 -57.38 -37.29 72.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.245 -0.909 . . . . 0.0 109.002 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -35.94 80.01 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.222 -0.924 . . . . 0.0 108.825 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.9 mtm -59.37 -41.67 89.84 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 345' ' ' ASN . 3.9 m-30 -75.6 -26.7 58.07 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.55 -0.719 . . . . 0.0 109.09 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.0 OUTLIER -64.23 -37.52 87.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.297 -0.877 . . . . 0.0 109.092 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 346' ' ' GLU . 28.9 tt0 -79.04 -50.14 11.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 109.208 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.484 ' CD1' HD13 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -49.36 -59.13 3.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 0.0 109.224 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' B' ' 346' ' ' GLU . 42.5 p-10 -67.93 -17.88 64.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.418 -0.801 . . . . 0.0 110.006 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' B' ' 345' ' ' ASN . 2.4 tt0 -67.89 -52.21 39.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.962 -1.086 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.75 85.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.199 -0.938 . . . . 0.0 109.34 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.478 ' CD2' ' HB1' ' C' ' 347' ' ' ALA . 88.5 mt -57.06 -49.55 75.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.161 -0.962 . . . . 0.0 109.125 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.33 -27.53 69.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.254 -0.904 . . . . 0.0 108.649 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.513 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.1 OUTLIER -67.26 -27.41 67.19 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.292 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.541 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 27.9 ttmt -68.84 -44.78 72.69 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.71 -31.62 70.9 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.517 -0.739 . . . . 0.0 109.389 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 0.0 109.516 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.329 0.585 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.418 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 14.7 m-85 -98.34 115.68 28.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.919 . . . . 0.0 109.65 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.558 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 82.3 m-85 -111.22 164.49 12.82 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.944 . . . . 0.0 109.175 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.53 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -126.6 134.67 50.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.129 -0.982 . . . . 0.0 109.787 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.95 86.36 2.43 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.578 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 4.8 tt0 -81.48 117.55 21.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.878 . . . . 0.0 109.57 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.431 HD13 HD21 ' C' ' 330' ' ' LEU . 3.5 mt -119.28 120.65 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.429 ' HD2' ' OH ' ' D' ' 327' ' ' TYR . 3.9 ttt-85 -81.44 89.37 6.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.259 -0.901 . . . . 0.0 109.341 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.29 -151.25 10.02 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -153.89 -46.52 0.09 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -1.139 . . . . 0.0 109.162 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.25 -48.77 40.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.223 -0.923 . . . . 0.0 109.134 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -62.16 -46.27 89.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.401 -0.812 . . . . 0.0 109.088 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 44.9 t80 -57.77 -37.81 74.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.284 -0.885 . . . . 0.0 108.978 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -35.85 80.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.336 -0.852 . . . . 0.0 108.769 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.5 mtm -59.3 -41.62 89.41 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' D' ' 345' ' ' ASN . 3.8 m-30 -75.55 -26.78 58.27 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.58 -0.7 . . . . 0.0 109.158 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.0 OUTLIER -63.92 -38.13 89.95 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.312 -0.867 . . . . 0.0 109.127 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -78.3 -50.56 11.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.296 -0.877 . . . . 0.0 109.247 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' B' ' 344' ' ' LEU . 0.4 OUTLIER -48.75 -59.31 3.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.261 -0.899 . . . . 0.0 109.374 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.566 ' HB3' ' CE2' ' D' ' 341' ' ' PHE . 45.7 p-10 -68.52 -17.58 64.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.249 -0.907 . . . . 0.0 110.201 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' C' ' 345' ' ' ASN . 2.5 tt0 -68.02 -51.29 48.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.003 -1.06 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.478 ' HB1' ' CD2' ' B' ' 348' ' ' LEU . . . -67.1 -36.11 81.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.325 -0.859 . . . . 0.0 109.386 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' B' ' 344' ' ' LEU . 88.1 mt -59.04 -49.55 77.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.922 . . . . 0.0 109.145 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.96 -27.65 69.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.274 -0.891 . . . . 0.0 108.755 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.541 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -67.27 -27.4 67.16 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.513 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 27.4 ttmt -69.02 -43.9 73.82 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.443 -0.785 . . . . 0.0 108.899 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.5 -31.29 71.28 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.446 -0.784 . . . . 0.0 109.38 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.473 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.267 0.556 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.429 ' OH ' ' HD2' ' C' ' 333' ' ' ARG . 14.7 m-85 -98.13 115.55 28.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 109.593 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.582 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 82.4 m-85 -111.19 164.36 12.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.29 -0.881 . . . . 0.0 109.141 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.53 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -126.53 134.68 50.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.191 -0.943 . . . . 0.0 109.706 -179.773 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.555 HD13 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.97 86.06 2.38 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.7 tt0 -81.11 117.48 21.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.707 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.434 HD13 HD21 ' D' ' 330' ' ' LEU . 3.5 mt -119.08 120.7 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.351 -0.843 . . . . 0.0 109.554 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.418 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 4.1 ttt-85 -81.69 89.65 6.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.238 -0.914 . . . . 0.0 109.37 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.12 -151.12 9.95 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -153.75 -46.89 0.09 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.324 -1.104 . . . . 0.0 109.12 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.13 -48.86 40.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 0.0 109.11 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -62.02 -46.34 89.63 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.235 -0.915 . . . . 0.0 109.136 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.565 ' CE1' HD13 ' C' ' 330' ' ' LEU . 45.0 t80 -57.65 -37.62 73.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.262 -0.899 . . . . 0.0 108.972 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -35.63 80.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.24 -0.913 . . . . 0.0 108.83 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.439 ' HE2' HD23 ' B' ' 344' ' ' LEU . 4.7 mtm -59.65 -41.63 90.98 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' C' ' 345' ' ' ASN . 3.8 m-30 -75.47 -26.82 58.52 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.0 OUTLIER -63.97 -38.0 89.49 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.303 -0.873 . . . . 0.0 109.179 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' D' ' 346' ' ' GLU . 28.5 tt0 -78.46 -50.27 11.95 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.404 -0.81 . . . . 0.0 109.234 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.483 HD13 ' HB3' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -49.06 -59.51 3.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 0.0 109.298 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' C' ' 341' ' ' PHE . 45.6 p-10 -68.17 -17.41 64.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.222 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.51 ' N ' ' OD1' ' D' ' 345' ' ' ASN . 2.4 tt0 -67.81 -51.76 44.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.954 -1.091 . . . . 0.0 109.268 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' A' ' 348' ' ' LEU . . . -66.74 -37.4 84.57 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.296 -0.877 . . . . 0.0 109.353 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' A' ' 344' ' ' LEU . 88.4 mt -57.69 -49.6 75.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.191 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.02 -28.04 69.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.262 -0.899 . . . . 0.0 108.639 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.56 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -66.94 -27.47 67.5 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.526 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 27.2 ttmt -69.26 -43.83 73.13 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.434 -0.791 . . . . 0.0 108.888 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.52 -31.17 71.17 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.564 -0.71 . . . . 0.0 109.199 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.366 -0.834 . . . . 0.0 109.453 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.341 0.591 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -99.55 118.0 35.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.269 -0.894 . . . . 0.0 109.56 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.579 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 84.0 m-85 -112.72 160.92 17.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.151 -0.968 . . . . 0.0 109.194 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.574 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -137.36 132.62 33.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.186 -0.946 . . . . 0.0 110.151 -178.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.592 ' CD2' ' ND2' ' B' ' 345' ' ' ASN . 0.1 OUTLIER -108.97 96.99 6.7 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.176 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.7 OUTLIER -88.17 108.82 19.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.137 -0.977 . . . . 0.0 108.459 -179.581 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.457 HD12 HD22 ' A' ' 330' ' ' LEU . 2.9 mt -113.77 115.56 50.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.495 -0.753 . . . . 0.0 109.677 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -79.44 99.17 7.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.966 . . . . 0.0 108.674 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 176.08 -128.23 1.34 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 19.9 ttt180 179.74 -54.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.409 -1.054 . . . . 0.0 109.128 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 26.0 pt-20 -70.81 -45.84 63.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.231 -0.918 . . . . 0.0 109.232 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.489 ' N ' ' HG3' ' A' ' 336' ' ' GLU . 8.0 mtm105 -64.04 -44.21 93.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.248 -0.908 . . . . 0.0 108.756 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 61.1 t80 -59.04 -32.36 69.68 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 342' ' ' ARG . 1.5 mt-10 -67.18 -43.0 83.27 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.167 -0.958 . . . . 0.0 108.545 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.482 ' HE1' HD23 ' C' ' 344' ' ' LEU . 4.0 mtp -48.79 -50.09 35.74 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.069 0.938 . . . . 0.0 108.819 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -65.42 -35.07 79.84 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.854 0.835 . . . . 0.0 109.173 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -56.45 -31.73 64.25 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.456 ' HG2' ' HE2' ' C' ' 340' ' ' MET . 0.9 OUTLIER -73.98 -60.96 2.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.753 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.495 ' CD1' HD13 ' D' ' 348' ' ' LEU . 1.5 mm? -54.85 -61.89 2.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.014 -1.054 . . . . 0.0 108.492 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.486 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 11.1 t-20 -44.38 -31.65 1.12 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.641 -0.662 . . . . 0.0 109.268 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 343' ' ' GLU . 0.9 OUTLIER -69.48 -49.14 57.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.226 -0.921 . . . . 0.0 110.175 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.471 ' HA ' HD21 ' A' ' 350' ' ' LEU . . . -61.52 -39.93 92.82 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.112 -0.992 . . . . 0.0 109.695 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' D' ' 344' ' ' LEU . 60.7 mt -60.03 -51.41 69.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -59.05 -25.74 63.99 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.522 ' CD2' ' HB2' ' D' ' 351' ' ' LYS . 0.1 OUTLIER -74.43 -31.87 62.44 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 120.967 -1.083 . . . . 0.0 108.36 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.529 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 7.7 ttmt -60.07 -38.39 82.73 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -30.39 65.83 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.462 -0.774 . . . . 0.0 109.763 179.891 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.407 0.623 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -97.86 118.93 35.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.389 -0.819 . . . . 0.0 109.551 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.553 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 83.4 m-85 -114.58 158.9 21.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -0.897 . . . . 0.0 109.312 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.574 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.3 OUTLIER -134.82 138.13 43.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 109.991 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -113.87 89.55 3.12 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.016 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -80.91 106.95 13.31 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.278 -0.889 . . . . 0.0 109.668 -179.378 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.436 HD12 HD21 ' B' ' 330' ' ' LEU . 2.8 mp -111.47 118.3 57.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.391 -0.818 . . . . 0.0 109.095 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -83.03 96.6 8.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 108.86 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 177.75 -127.39 1.18 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 21.1 ttt180 -179.72 -54.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.322 -1.105 . . . . 0.0 109.204 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' B' ' 337' ' ' ARG . 26.0 pt-20 -69.77 -45.53 67.82 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.253 -0.904 . . . . 0.0 109.203 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.485 ' N ' ' CG ' ' B' ' 336' ' ' GLU . 8.0 mtm105 -64.6 -44.97 88.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.279 -0.888 . . . . 0.0 109.047 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 61.1 t80 -58.22 -32.37 68.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.199 -0.938 . . . . 0.0 108.634 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' B' ' 342' ' ' ARG . 1.4 mt-10 -67.23 -44.26 79.94 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.48 ' HE1' HD23 ' D' ' 344' ' ' LEU . 4.4 mtp -48.87 -50.39 35.03 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -65.35 -31.92 73.29 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -60.59 -27.76 67.97 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.514 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.8 OUTLIER -76.12 -63.42 1.32 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.446 -0.784 . . . . 0.0 109.074 179.583 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.506 ' CD1' HD13 ' C' ' 348' ' ' LEU . 1.7 mm? -51.95 -65.58 0.53 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.085 -1.009 . . . . 0.0 108.287 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.592 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 8.8 t-20 -40.65 -31.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.596 -0.69 . . . . 0.0 109.615 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 0.9 OUTLIER -71.42 -49.07 45.42 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.34 -0.85 . . . . 0.0 109.803 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.446 ' HA ' HD21 ' B' ' 350' ' ' LEU . . . -61.16 -39.32 89.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.146 -0.971 . . . . 0.0 109.611 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.451 HD22 ' HB1' ' C' ' 347' ' ' ALA . 55.9 mt -61.81 -50.75 71.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.894 . . . . 0.0 108.67 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.23 -27.18 65.51 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.508 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.1 OUTLIER -72.29 -34.49 68.21 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 7.7 ttmt -58.17 -38.12 76.05 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -28.9 63.71 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.452 -0.78 . . . . 0.0 109.493 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.308 0.575 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -99.5 119.26 37.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.575 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 82.2 m-85 -114.16 159.9 19.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.18 -0.95 . . . . 0.0 109.171 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.478 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -136.24 135.49 39.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.098 -1.001 . . . . 0.0 110.171 -179.226 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.534 ' CD2' ' ND2' ' D' ' 345' ' ' ASN . 0.1 OUTLIER -111.67 90.29 3.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.326 -0.859 . . . . 0.0 108.903 179.142 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.35 107.59 14.26 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.242 -0.911 . . . . 0.0 109.599 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.453 HD12 HD22 ' C' ' 330' ' ' LEU . 2.8 mp -112.58 116.76 53.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.432 -0.792 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -80.92 97.33 7.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.169 -0.957 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.42 -128.15 1.32 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -178.67 -53.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.22 -1.165 . . . . 0.0 109.284 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' C' ' 337' ' ' ARG . 26.1 pt-20 -70.23 -45.67 66.04 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 109.159 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.5 ' N ' ' CG ' ' C' ' 336' ' ' GLU . 7.8 mtm105 -64.47 -44.64 90.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.202 -0.936 . . . . 0.0 108.912 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 60.9 t80 -58.61 -32.54 69.09 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' C' ' 342' ' ' ARG . 1.4 mt-10 -67.07 -43.73 81.89 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.484 ' HE1' HD23 ' A' ' 344' ' ' LEU . 4.4 mtp -49.28 -49.9 41.5 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -65.62 -31.73 72.91 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -60.49 -27.11 67.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.176 -0.953 . . . . 0.0 108.504 179.053 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.7 OUTLIER -77.17 -63.35 1.39 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.383 -0.823 . . . . 0.0 109.009 179.378 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.482 HD23 ' HE1' ' A' ' 340' ' ' MET . 1.4 mm? -51.92 -65.47 0.55 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.54 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 10.2 t-20 -41.49 -29.89 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.529 -0.732 . . . . 0.0 109.755 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' C' ' 343' ' ' GLU . 0.9 OUTLIER -72.88 -48.22 39.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 109.912 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.467 ' HA ' HD21 ' C' ' 350' ' ' LEU . . . -62.33 -35.7 79.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.0 109.475 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' B' ' 344' ' ' LEU . 58.9 mt -65.03 -50.48 66.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.118 -0.989 . . . . 0.0 108.697 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.28 -27.41 65.81 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -71.94 -34.24 68.88 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.352 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.508 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 7.7 ttmt -58.42 -37.56 75.61 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -28.62 62.76 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 O-C-N 121.5 -0.75 . . . . 0.0 109.388 179.86 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.323 0.582 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -99.39 118.71 36.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.424 -0.798 . . . . 0.0 109.49 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 83.7 m-85 -113.7 159.66 19.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.905 . . . . 0.0 109.248 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.478 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -136.24 135.53 39.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.028 -1.045 . . . . 0.0 110.102 -179.23 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.54 ' CD2' ' ND2' ' C' ' 345' ' ' ASN . 0.1 OUTLIER -111.76 90.18 3.27 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.351 -0.843 . . . . 0.0 108.885 179.155 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.23 107.76 14.29 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.258 -0.901 . . . . 0.0 109.533 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.442 HD12 HD22 ' D' ' 330' ' ' LEU . 2.8 mp -112.58 116.9 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.344 -0.847 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -81.22 97.72 7.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.169 -0.957 . . . . 0.0 109.524 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.16 -127.99 1.31 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -178.6 -53.84 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.177 -1.19 . . . . 0.0 109.239 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' D' ' 337' ' ' ARG . 26.1 pt-20 -70.03 -45.61 66.82 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.896 . . . . 0.0 109.184 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.494 ' N ' ' CG ' ' D' ' 336' ' ' GLU . 7.8 mtm105 -64.83 -44.28 90.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.88 . . . . 0.0 108.967 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 60.5 t80 -58.85 -32.2 69.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.139 -0.976 . . . . 0.0 108.672 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' D' ' 342' ' ' ARG . 1.4 mt-10 -67.23 -43.46 81.92 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.458 ' HE1' HD23 ' B' ' 344' ' ' LEU . 4.4 mtp -49.53 -49.91 44.07 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -65.8 -31.12 71.91 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -61.17 -26.77 67.94 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.465 ' HG2' ' HE2' ' B' ' 340' ' ' MET . 0.8 OUTLIER -77.39 -63.13 1.44 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.422 -0.799 . . . . 0.0 109.044 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.484 ' HG ' ' HG ' ' A' ' 344' ' ' LEU . 1.4 mm? -52.41 -65.05 0.63 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.083 -1.011 . . . . 0.0 108.326 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.534 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 10.5 t-20 -41.68 -29.74 0.2 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.524 -0.735 . . . . 0.0 109.683 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' D' ' 343' ' ' GLU . 0.9 OUTLIER -72.56 -48.54 39.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 109.775 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 348' ' ' LEU . . . -61.27 -38.75 87.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.183 -0.948 . . . . 0.0 109.46 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 344' ' ' LEU . 56.7 mt -62.4 -50.55 71.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.159 -0.963 . . . . 0.0 108.779 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.48 -27.39 66.08 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.529 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -71.96 -34.56 69.07 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.359 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 7.7 ttmt -58.23 -38.03 76.04 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -28.66 63.33 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.433 -0.792 . . . . 0.0 109.441 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 5.7 m-85 -103.28 109.11 20.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.0 109.372 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.537 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 27.1 m-85 -102.38 163.1 12.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.153 -0.967 . . . . 0.0 108.888 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.572 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -127.25 137.73 52.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.703 -179.723 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.595 ' CD2' ' ND2' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -117.97 97.37 5.78 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 178.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 52.8 mt-30 -87.89 109.43 19.77 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.408 -0.917 . . . . 0.0 108.572 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -101.85 118.03 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.437 -0.789 . . . . 0.0 109.61 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 5.3 mtm180 -78.29 91.47 4.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 108.814 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.75 -143.73 8.54 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -159.49 -57.3 0.06 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.253 -1.145 . . . . 0.0 108.786 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.36 -48.32 79.33 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.283 -0.886 . . . . 0.0 108.868 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -39.24 82.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 0.0 108.894 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 88.7 t80 -60.37 -36.15 77.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.917 . . . . 0.0 109.109 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.11 -37.4 72.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.157 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.538 ' CE ' HD23 ' C' ' 344' ' ' LEU . 2.0 mtp -57.61 -47.22 82.78 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 122.002 0.906 . . . . 0.0 109.302 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -70.21 -33.82 72.14 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 121.745 0.783 . . . . 0.0 109.079 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -35.67 63.66 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.462 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 19.0 tp10 -72.9 -60.88 2.02 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.403 -0.811 . . . . 0.0 109.791 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.538 HD23 ' CE ' ' C' ' 340' ' ' MET . 0.9 OUTLIER -52.06 -62.8 1.41 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.691 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.518 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 9.4 t-20 -44.77 -33.48 1.91 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.635 -0.666 . . . . 0.0 109.977 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.73 -48.35 64.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.969 . . . . 0.0 110.214 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 350' ' ' LEU . . . -61.67 -46.11 91.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.053 -1.029 . . . . 0.0 109.841 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -54.66 -54.3 43.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.183 -0.948 . . . . 0.0 109.055 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -25.32 64.59 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.192 -0.943 . . . . 0.0 108.901 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.529 ' CD2' ' HB2' ' D' ' 351' ' ' LYS . 0.1 OUTLIER -73.94 -30.55 62.61 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.026 -1.046 . . . . 0.0 108.457 179.605 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 7.8 tttt -62.41 -39.58 93.73 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.46 -27.61 62.41 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.248 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.244 -0.91 . . . . 0.0 109.864 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.288 0.566 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 6.0 m-85 -104.21 107.43 18.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.361 -0.837 . . . . 0.0 109.603 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.516 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 27.5 m-85 -101.85 161.05 13.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -0.91 . . . . 0.0 109.292 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.572 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -124.7 144.12 50.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.31 -0.869 . . . . 0.0 109.499 179.661 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.553 ' CB ' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -123.89 89.67 3.13 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 53.4 mt-30 -80.31 108.36 13.86 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.443 -0.903 . . . . 0.0 109.846 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -100.57 119.32 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.372 -0.83 . . . . 0.0 109.178 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 5.3 mtm180 -80.01 89.3 5.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.329 -0.857 . . . . 0.0 109.079 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.47 -141.87 7.06 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -160.02 -57.51 0.06 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.331 -1.099 . . . . 0.0 108.889 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.93 -48.06 79.18 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.327 -0.858 . . . . 0.0 108.836 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -40.48 87.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -0.873 . . . . 0.0 109.153 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 88.4 t80 -59.19 -36.11 74.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.269 -0.895 . . . . 0.0 109.088 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.32 -38.06 71.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.339 -0.851 . . . . 0.0 108.92 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.526 ' CE ' HD23 ' D' ' 344' ' ' LEU . 2.0 mtp -57.76 -47.06 83.59 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -70.88 -30.95 67.47 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.506 -0.746 . . . . 0.0 109.008 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -33.35 68.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.09 -1.006 . . . . 0.0 108.437 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 19.4 tp10 -73.23 -64.76 0.91 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.482 -0.761 . . . . 0.0 109.132 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.523 HD23 ' CE ' ' D' ' 340' ' ' MET . 1.2 mm? -47.71 -68.13 0.21 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.085 -1.009 . . . . 0.0 108.382 179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 7.6 t-20 -39.42 -34.79 0.23 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.636 -0.665 . . . . 0.0 110.135 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' B' ' 343' ' ' GLU . 7.6 tp10 -69.03 -48.71 62.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.217 -0.927 . . . . 0.0 110.164 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.479 ' HA ' HD21 ' B' ' 350' ' ' LEU . . . -61.29 -45.02 96.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.085 -1.009 . . . . 0.0 109.72 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.6 mt -56.4 -54.71 42.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.271 -0.893 . . . . 0.0 109.272 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.18 -26.84 65.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.246 -0.909 . . . . 0.0 109.151 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.529 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.1 OUTLIER -71.55 -32.69 68.41 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 8.0 tttt -60.69 -39.36 88.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.336 -0.853 . . . . 0.0 108.82 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -25.65 60.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.501 -0.75 . . . . 0.0 109.23 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.0 109.579 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.308 0.575 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.58 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 5.8 m-85 -104.9 107.67 18.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 109.602 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.542 ' HB3' ' CD1' ' D' ' 338' ' ' PHE . 27.7 m-85 -101.66 161.23 13.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.162 -0.961 . . . . 0.0 109.228 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.477 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -125.45 140.83 52.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.21 -0.931 . . . . 0.0 109.78 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.54 ' CD2' ' ND2' ' D' ' 345' ' ' ASN . 0.2 OUTLIER -121.46 89.66 3.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.372 -0.83 . . . . 0.0 109.028 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 51.0 mt-30 -80.13 109.0 14.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.176 -0.953 . . . . 0.0 109.587 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.4 118.78 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.32 -0.863 . . . . 0.0 109.34 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 5.3 mtm180 -78.7 90.54 4.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.228 -0.92 . . . . 0.0 109.403 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.42 -142.59 7.74 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -158.83 -57.24 0.07 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.268 -1.136 . . . . 0.0 109.041 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.06 -48.13 79.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 0.0 108.886 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -39.57 84.99 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.274 -0.891 . . . . 0.0 109.019 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' D' ' 328' ' ' PHE . 88.4 t80 -59.69 -36.76 77.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.913 . . . . 0.0 109.105 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.92 -37.97 72.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 0.0 108.978 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.538 ' CE ' HD23 ' A' ' 344' ' ' LEU . 2.1 mtp -57.6 -46.85 83.54 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.832 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -71.0 -31.27 67.75 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.461 -0.774 . . . . 0.0 109.062 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -33.19 67.07 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.096 -1.002 . . . . 0.0 108.574 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.458 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 19.0 tp10 -73.85 -64.46 1.0 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.338 -0.851 . . . . 0.0 109.052 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.538 HD23 ' CE ' ' A' ' 340' ' ' MET . 0.8 OUTLIER -47.9 -68.04 0.22 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.077 -1.015 . . . . 0.0 108.4 179.505 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.549 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 8.8 t-20 -40.11 -34.17 0.28 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.635 -0.666 . . . . 0.0 110.267 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' C' ' 343' ' ' GLU . 7.3 tp10 -69.84 -48.53 58.57 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.161 -0.962 . . . . 0.0 110.219 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.469 ' HA ' HD21 ' C' ' 350' ' ' LEU . . . -61.54 -42.17 98.43 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.142 -0.974 . . . . 0.0 109.566 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.4 mt -59.2 -54.56 45.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.111 -0.993 . . . . 0.0 109.393 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.02 -26.56 64.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.241 -0.912 . . . . 0.0 109.252 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.539 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -71.7 -32.88 68.3 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.398 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.529 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 7.8 tttt -60.48 -39.11 86.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.377 -0.827 . . . . 0.0 108.892 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -25.67 60.55 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.45 -0.781 . . . . 0.0 109.282 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.344 -0.847 . . . . 0.0 109.582 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 5.6 m-85 -104.8 107.53 18.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.252 -0.905 . . . . 0.0 109.556 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.57 ' HB3' ' CD1' ' C' ' 338' ' ' PHE . 27.8 m-85 -101.46 161.11 13.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.202 -0.936 . . . . 0.0 109.282 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.477 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -125.25 140.99 52.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.244 -0.91 . . . . 0.0 109.718 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.549 ' CD2' ' ND2' ' C' ' 345' ' ' ASN . 0.2 OUTLIER -121.6 89.82 3.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.362 -0.837 . . . . 0.0 108.94 179.594 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 51.2 mt-30 -80.24 108.94 14.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -0.916 . . . . 0.0 109.742 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.12 118.89 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.91 . . . . 0.0 109.368 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.58 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 5.3 mtm180 -79.0 90.76 4.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.227 -0.921 . . . . 0.0 109.444 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.16 -142.78 7.89 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -158.51 -57.25 0.07 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -1.133 . . . . 0.0 108.982 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.95 -48.46 78.28 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.215 -0.928 . . . . 0.0 108.957 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -39.5 83.39 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 0.0 109.074 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' C' ' 328' ' ' PHE . 88.0 t80 -59.67 -37.02 77.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 109.142 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.8 -37.86 73.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.317 -0.864 . . . . 0.0 108.916 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.523 ' CE ' HD23 ' B' ' 344' ' ' LEU . 2.1 mtp -57.6 -47.1 83.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.39 -0.819 . . . . 0.0 108.834 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -70.86 -30.54 66.97 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.483 -0.761 . . . . 0.0 109.099 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -32.89 68.31 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.093 -1.005 . . . . 0.0 108.572 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 19.5 tp10 -73.65 -64.41 1.0 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.413 -0.804 . . . . 0.0 109.124 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.526 HD23 ' CE ' ' B' ' 340' ' ' MET . 0.9 OUTLIER -48.37 -67.53 0.26 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.025 -1.047 . . . . 0.0 108.512 179.486 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.54 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 8.7 t-20 -40.43 -33.6 0.27 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.607 -0.683 . . . . 0.0 110.162 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' D' ' 343' ' ' GLU . 7.6 tp10 -69.85 -48.76 57.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.191 -0.943 . . . . 0.0 110.128 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.486 ' HA ' HD21 ' D' ' 350' ' ' LEU . . . -60.67 -44.85 95.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.119 -0.988 . . . . 0.0 109.523 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.6 mt -56.93 -55.03 39.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.98 -26.95 64.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.207 -0.933 . . . . 0.0 109.223 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -71.44 -32.84 68.81 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.402 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.529 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 8.0 tttt -60.71 -39.08 87.23 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.357 -0.839 . . . . 0.0 108.962 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -25.25 60.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.387 -0.821 . . . . 0.0 109.17 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.346 -0.846 . . . . 0.0 109.631 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 328' ' ' PHE . 1.4 mm-40 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' OE1' ' B' ' 331' ' ' GLN . 9.2 m-85 -99.91 115.04 28.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.185 -0.947 . . . . 0.0 109.563 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 326' ' ' GLU . 99.0 m-85 -115.24 152.57 32.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.266 -0.896 . . . . 0.0 109.258 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.495 HG23 HG23 ' B' ' 329' ' ' THR . 0.2 OUTLIER -117.79 124.56 48.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.138 -0.976 . . . . 0.0 109.597 -179.707 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.488 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.3 OUTLIER -104.46 93.96 5.07 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 6.7 tt0 -88.6 116.27 26.72 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.001 -1.062 . . . . 0.0 109.084 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -118.92 129.46 75.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.385 -0.822 . . . . 0.0 109.767 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.9 ttp-105 -88.13 94.79 9.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.36 -0.837 . . . . 0.0 108.981 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.53 -138.66 3.38 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -168.98 -48.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.37 -1.076 . . . . 0.0 108.986 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.61 -41.47 45.9 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.228 -0.92 . . . . 0.0 109.168 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.425 ' HD2' HD11 ' B' ' 348' ' ' LEU . 4.4 mtm-85 -66.74 -40.33 88.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 0.0 108.906 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.482 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 90.1 t80 -62.01 -38.79 89.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.313 -0.867 . . . . 0.0 109.05 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.81 -44.27 86.15 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.158 -0.964 . . . . 0.0 109.048 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.1 mtp -51.56 -53.0 42.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 109.586 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 11.7 m-85 -62.4 -33.67 75.22 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.829 0.823 . . . . 0.0 109.27 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -34.05 72.78 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.96 -52.66 16.05 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.153 -0.967 . . . . 0.0 109.507 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.543 ' HG ' ' HG ' ' D' ' 344' ' ' LEU . 1.7 mm? -52.62 -48.37 66.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.15 -0.969 . . . . 0.0 109.243 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.541 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 3.4 m-20 -65.5 -25.73 67.6 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.382 -0.824 . . . . 0.0 109.639 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.45 -45.59 79.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.856 . . . . 0.0 109.653 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' D' ' 347' ' ' ALA . . . -69.72 -43.61 72.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 0.0 109.603 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.455 HD22 ' HB1' ' D' ' 347' ' ' ALA . 87.9 mt -55.21 -52.3 63.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.201 -0.937 . . . . 0.0 109.0 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.45 -28.35 69.21 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.295 -0.878 . . . . 0.0 108.819 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.535 HD23 ' CA ' ' D' ' 351' ' ' LYS . 0.2 OUTLIER -69.76 -27.73 65.18 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 121.048 -1.032 . . . . 0.0 108.255 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.52 ' CB ' HD23 ' D' ' 350' ' ' LEU . 11.7 tttm -67.94 -39.8 83.4 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.24 -44.27 95.36 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.422 -0.799 . . . . 0.0 109.235 179.544 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.441 ' HB2' ' CE2' ' B' ' 328' ' ' PHE . 1.5 mm-40 . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.272 0.558 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -99.8 115.77 30.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.395 -0.816 . . . . 0.0 109.488 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' B' ' 326' ' ' GLU . 99.1 m-85 -116.41 151.9 35.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.483 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.495 HG23 HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -116.19 131.1 57.04 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.219 -0.925 . . . . 0.0 109.163 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.482 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.3 OUTLIER -110.99 82.28 1.57 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -0.817 . . . . 0.0 108.855 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 7.8 tt0 -77.93 117.82 19.64 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.253 -0.904 . . . . 0.0 110.015 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.22 131.12 73.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.379 -0.826 . . . . 0.0 109.015 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' B' ' 333' ' ' ARG . 27.9 ttp-105 -90.43 92.3 8.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.301 -0.875 . . . . 0.0 109.205 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.93 -137.94 2.93 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.336 -1.505 . . . . 0.0 109.336 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -168.96 -48.03 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -1.089 . . . . 0.0 109.141 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -76.1 -41.06 51.5 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.348 -0.845 . . . . 0.0 109.19 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -66.78 -42.09 86.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.234 -0.916 . . . . 0.0 109.227 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.488 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 90.9 t80 -60.58 -39.61 88.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.229 -0.919 . . . . 0.0 109.25 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.9 -46.64 80.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.159 -0.963 . . . . 0.0 108.948 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.9 mtp -50.58 -54.75 20.17 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.443 -0.785 . . . . 0.0 108.899 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.541 ' CE2' ' ND2' ' A' ' 345' ' ' ASN . 15.5 m-85 -61.29 -29.77 70.07 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -0.809 . . . . 0.0 109.209 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -33.36 75.59 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.23 -0.919 . . . . 0.0 109.048 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.16 -53.29 15.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.295 -0.878 . . . . 0.0 109.568 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.485 ' HG ' ' HG ' ' C' ' 344' ' ' LEU . 1.8 mm? -52.47 -49.53 64.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.116 -0.99 . . . . 0.0 108.929 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.449 ' ND2' ' CE2' ' A' ' 341' ' ' PHE . 4.5 m-20 -63.4 -26.7 68.86 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -0.802 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.65 -45.6 78.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.195 -0.94 . . . . 0.0 109.705 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.454 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . . . -69.97 -41.34 74.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.157 -0.964 . . . . 0.0 109.653 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.463 HD22 ' HB1' ' C' ' 347' ' ' ALA . 91.9 mt -57.09 -53.07 62.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 109.359 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.14 -33.47 72.21 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.36 -0.837 . . . . 0.0 108.874 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.527 ' CD1' HD13 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.22 -30.68 71.78 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.528 ' CB ' HD23 ' C' ' 350' ' ' LEU . 11.6 tttm -66.17 -40.16 90.29 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.16 -43.49 95.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.408 -0.808 . . . . 0.0 108.846 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.475 0 O-C-N 121.393 -0.817 . . . . 0.0 109.084 179.593 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . 0.423 ' HB2' ' CE2' ' C' ' 328' ' ' PHE . 1.4 mm-40 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -100.82 115.9 31.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 109.482 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' C' ' 326' ' ' GLU . 99.1 m-85 -115.96 152.56 33.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.484 HG23 HG23 ' D' ' 329' ' ' THR . 0.2 OUTLIER -117.37 126.56 52.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 109.556 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.442 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.3 OUTLIER -106.59 85.45 2.17 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.322 -0.861 . . . . 0.0 109.192 179.754 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.93 117.26 21.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.806 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.74 130.75 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.863 . . . . 0.0 109.176 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.3 ttp-105 -89.41 93.65 9.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.168 -0.957 . . . . 0.0 109.582 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.05 -138.37 3.2 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -168.3 -47.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.323 -1.104 . . . . 0.0 109.115 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -76.34 -41.07 49.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.227 -0.92 . . . . 0.0 109.185 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -66.78 -41.81 87.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.326 -0.859 . . . . 0.0 109.082 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.456 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 89.8 t80 -60.72 -40.7 93.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.275 -0.891 . . . . 0.0 109.147 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.7 -47.18 82.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.259 -0.901 . . . . 0.0 108.949 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.1 mtp -49.89 -53.64 24.62 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.335 -0.853 . . . . 0.0 108.988 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.581 ' CE2' ' ND2' ' D' ' 345' ' ' ASN . 15.6 m-85 -62.36 -29.22 70.31 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.416 -0.803 . . . . 0.0 109.287 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -32.98 74.82 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.333 -0.854 . . . . 0.0 109.14 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.91 -53.5 12.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.3 -0.875 . . . . 0.0 109.582 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.485 ' HG ' ' HG ' ' B' ' 344' ' ' LEU . 1.5 mm? -52.28 -49.25 64.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.2 -0.938 . . . . 0.0 108.955 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.564 ' ND2' ' CE2' ' D' ' 341' ' ' PHE . 3.5 m-20 -64.37 -26.49 68.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.471 -0.768 . . . . 0.0 109.541 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.43 -44.53 78.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.306 -0.871 . . . . 0.0 109.503 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' B' ' 348' ' ' LEU . . . -71.18 -38.36 72.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.258 -0.901 . . . . 0.0 109.609 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.26 -52.64 64.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.022 -1.049 . . . . 0.0 109.308 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.66 -33.49 71.62 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.332 -0.855 . . . . 0.0 109.039 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.528 HD23 ' CB ' ' B' ' 351' ' ' LYS . 0.2 OUTLIER -63.77 -30.38 71.48 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.52 ' CA ' HD23 ' B' ' 350' ' ' LEU . 11.9 tttm -66.14 -39.6 89.96 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.75 -43.53 97.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.311 -0.868 . . . . 0.0 108.859 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.382 -0.824 . . . . 0.0 109.185 179.678 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . 0.425 ' HB2' ' CE2' ' D' ' 328' ' ' PHE . 1.5 mm-40 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.29 0.566 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -100.41 115.7 30.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.23 -0.919 . . . . 0.0 109.579 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' D' ' 326' ' ' GLU . 99.0 m-85 -115.94 152.7 32.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.205 -0.934 . . . . 0.0 109.305 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.484 HG23 HG23 ' C' ' 329' ' ' THR . 0.2 OUTLIER -117.51 126.54 52.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 109.573 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.456 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.3 OUTLIER -106.66 85.59 2.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.337 -0.852 . . . . 0.0 109.169 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -80.68 117.3 21.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.264 -0.897 . . . . 0.0 109.769 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.78 130.96 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.24 -0.912 . . . . 0.0 109.362 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -89.74 93.98 9.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.27 -0.894 . . . . 0.0 109.582 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.72 -138.73 3.44 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -167.82 -47.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.373 -1.075 . . . . 0.0 109.098 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -76.32 -41.39 48.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.288 -0.883 . . . . 0.0 109.195 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -66.56 -41.34 88.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.343 -0.848 . . . . 0.0 109.186 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.442 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 90.5 t80 -61.18 -40.23 93.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.245 -0.91 . . . . 0.0 109.218 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.98 -46.87 82.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.175 -0.953 . . . . 0.0 108.911 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.1 mtp -50.24 -53.86 25.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.345 -0.847 . . . . 0.0 108.916 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.564 ' CE2' ' ND2' ' C' ' 345' ' ' ASN . 14.6 m-85 -61.86 -29.17 70.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.478 -0.764 . . . . 0.0 109.292 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -32.3 73.96 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.405 -0.81 . . . . 0.0 109.185 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.02 -53.34 13.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.317 -0.865 . . . . 0.0 109.506 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.543 ' HG ' ' HG ' ' A' ' 344' ' ' LEU . 1.3 mm? -52.47 -49.72 64.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.145 -0.972 . . . . 0.0 108.979 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.581 ' ND2' ' CE2' ' C' ' 341' ' ' PHE . 3.5 m-20 -63.83 -26.18 68.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.438 -0.789 . . . . 0.0 109.527 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.29 -45.38 76.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.535 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' A' ' 347' ' ' ALA . . . -69.97 -40.49 75.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.898 . . . . 0.0 109.643 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 85.5 mt -58.66 -52.48 65.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.171 -0.956 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.94 -33.79 72.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.251 -0.906 . . . . 0.0 108.901 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -63.18 -30.59 71.71 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.57 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.535 ' CA ' HD23 ' A' ' 350' ' ' LEU . 11.4 tttm -66.28 -39.77 89.61 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.437 -0.789 . . . . 0.0 108.908 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.43 -43.04 97.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.337 -0.852 . . . . 0.0 108.752 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.461 0 O-C-N 121.338 -0.851 . . . . 0.0 109.225 179.694 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.309 0.576 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' CD ' ' B' ' 333' ' ' ARG . 13.8 m-85 -110.21 109.55 20.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 0.0 109.523 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.562 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 32.8 m-85 -96.59 176.26 6.09 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.226 -0.921 . . . . 0.0 109.096 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.606 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -133.3 133.96 43.25 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.306 -0.871 . . . . 0.0 109.571 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.549 ' HB3' ' CB ' ' B' ' 330' ' ' LEU . 0.2 OUTLIER -116.2 96.5 5.58 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.439 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.3 mt-30 -88.62 111.82 22.35 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.243 -0.911 . . . . 0.0 108.782 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.81 136.63 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.378 -0.827 . . . . 0.0 109.851 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.441 ' CD ' ' CZ ' ' B' ' 327' ' ' TYR . 1.2 ttp85 -95.14 130.54 41.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.358 -0.839 . . . . 0.0 109.017 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 136.6 -124.59 3.2 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 0.6 OUTLIER 178.09 -52.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.32 -1.106 . . . . 0.0 109.135 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -66.81 -50.3 63.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 0.0 108.999 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.48 ' HD3' HD23 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -56.54 -43.01 79.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.21 -0.931 . . . . 0.0 108.866 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 75.4 t80 -58.77 -37.07 75.45 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.314 -0.866 . . . . 0.0 108.993 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 10.2 mt-10 -62.5 -40.81 97.89 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.262 -0.899 . . . . 0.0 108.802 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.5 ' HE1' HD23 ' C' ' 344' ' ' LEU . 8.6 mtm -58.45 -50.9 72.03 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.79 0.805 . . . . 0.0 109.31 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 345' ' ' ASN . 3.4 m-85 -62.73 -27.81 69.53 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.764 0.792 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -68.05 -30.83 70.14 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.76 -55.92 5.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.433 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.491 ' HB3' HD13 ' D' ' 344' ' ' LEU . 1.0 OUTLIER -54.57 -44.43 72.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 0.0 108.761 179.613 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 341' ' ' PHE . 8.8 t-20 -64.95 -28.81 69.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.603 -0.686 . . . . 0.0 109.227 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.19 -45.73 69.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.565 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.407 ' HA ' HD22 ' A' ' 350' ' ' LEU . . . -64.86 -47.66 77.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.089 -1.007 . . . . 0.0 109.564 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.449 HD23 ' HD3' ' B' ' 337' ' ' ARG . 22.5 mt -54.24 -55.41 28.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.0 108.526 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -56.83 -26.77 59.01 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.539 ' CD2' ' HB2' ' D' ' 351' ' ' LYS . 0.1 OUTLIER -68.5 -37.0 79.7 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.544 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 15.8 ttpp -57.72 -40.75 80.31 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -29.85 69.02 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.445 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.204 -0.935 . . . . 0.0 109.857 -179.886 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.296 0.57 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.441 ' CZ ' ' CD ' ' A' ' 333' ' ' ARG . 13.6 m-85 -110.92 108.9 18.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -0.922 . . . . 0.0 109.63 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 34.1 m-85 -97.8 169.85 9.38 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.211 -0.931 . . . . 0.0 109.37 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.606 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.3 OUTLIER -126.06 141.3 52.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.442 -0.786 . . . . 0.0 109.777 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.549 ' CB ' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -123.29 87.93 2.83 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.425 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 2.8 mt-30 -80.77 112.72 18.42 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.18 -0.95 . . . . 0.0 109.708 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.64 136.35 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 109.556 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.456 ' CD ' ' CZ ' ' A' ' 327' ' ' TYR . 1.1 ttp85 -94.84 130.32 41.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.288 -0.883 . . . . 0.0 109.15 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 136.48 -124.4 3.17 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 0.6 OUTLIER 178.36 -52.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.245 -1.15 . . . . 0.0 109.222 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.41 -50.21 64.18 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.232 -0.917 . . . . 0.0 109.071 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.449 ' HD3' HD23 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -56.32 -44.62 80.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -0.918 . . . . 0.0 109.047 179.575 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 74.7 t80 -57.45 -36.94 72.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 108.962 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 9.0 mt-10 -62.6 -42.2 99.43 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.461 ' HE1' HD23 ' D' ' 344' ' ' LEU . 10.2 mtm -58.45 -51.84 68.16 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.528 ' O ' ' HB2' ' B' ' 345' ' ' ASN . 3.3 m-85 -61.67 -25.31 67.31 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.389 -0.819 . . . . 0.0 109.07 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -71.12 -28.34 64.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.249 -0.907 . . . . 0.0 109.038 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.99 -55.51 5.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.362 -0.836 . . . . 0.0 109.259 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.474 ' HB3' HD13 ' C' ' 344' ' ' LEU . 1.1 mm? -55.21 -44.35 75.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.144 -0.972 . . . . 0.0 108.681 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.528 ' ND2' HD22 ' A' ' 330' ' ' LEU . 7.5 t-20 -64.29 -28.86 70.01 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.13 -45.54 66.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 0.0 109.575 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' B' ' 350' ' ' LEU . . . -64.78 -47.25 78.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.0 109.267 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.48 HD23 ' HD3' ' A' ' 337' ' ' ARG . 20.9 mt -54.96 -55.9 25.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 108.783 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -56.86 -27.09 59.92 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.1 OUTLIER -67.35 -38.48 84.89 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.52 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.545 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 15.8 ttpp -56.42 -39.85 73.74 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -28.41 66.38 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.47 -0.768 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.333 -0.854 . . . . 0.0 109.633 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.522 ' CZ ' ' CD ' ' D' ' 333' ' ' ARG . 13.7 m-85 -111.2 109.12 19.01 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.2 -0.937 . . . . 0.0 109.519 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 33.5 m-85 -96.57 174.29 6.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 109.412 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.572 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -130.86 136.43 48.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.187 -0.946 . . . . 0.0 109.711 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.551 HD11 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -119.2 89.42 3.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.284 -0.885 . . . . 0.0 108.807 179.656 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.1 mt-30 -82.27 112.22 19.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.205 -0.935 . . . . 0.0 109.714 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.48 136.85 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.515 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.555 ' CD ' ' CZ ' ' D' ' 327' ' ' TYR . 1.3 ttp85 -95.16 130.14 41.99 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.307 -0.871 . . . . 0.0 109.443 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 136.36 -124.1 3.1 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 0.7 OUTLIER 178.51 -52.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -1.122 . . . . 0.0 109.307 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.35 -50.56 63.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.165 -0.959 . . . . 0.0 109.005 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.422 ' HD3' HD23 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -56.21 -43.7 78.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -0.912 . . . . 0.0 108.943 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 75.8 t80 -57.92 -37.68 74.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.423 -0.798 . . . . 0.0 109.054 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 9.2 mt-10 -61.87 -41.88 98.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.399 -0.813 . . . . 0.0 108.88 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.461 ' HE1' HD23 ' A' ' 344' ' ' LEU . 10.1 mtm -58.62 -51.63 69.09 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.482 ' O ' ' HB2' ' C' ' 345' ' ' ASN . 3.3 m-85 -61.98 -24.49 67.05 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.485 -0.759 . . . . 0.0 109.199 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -71.78 -28.18 63.45 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.338 -0.851 . . . . 0.0 108.812 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -78.68 -55.39 5.22 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.425 -0.797 . . . . 0.0 109.236 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.5 HD23 ' HE1' ' A' ' 340' ' ' MET . 1.0 OUTLIER -55.09 -44.06 74.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.115 -0.99 . . . . 0.0 108.622 179.423 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' C' ' 341' ' ' PHE . 8.9 t-20 -65.47 -27.85 68.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.479 -0.763 . . . . 0.0 109.449 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.75 -45.26 65.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 0.0 109.447 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.83 83.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.297 -0.877 . . . . 0.0 109.194 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.413 HD23 ' HD3' ' D' ' 337' ' ' ARG . 21.5 mt -56.28 -55.84 28.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.935 . . . . 0.0 108.759 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.6 -27.26 57.67 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.545 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -67.29 -38.44 85.05 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.521 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 15.7 ttpp -56.2 -40.12 73.52 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -28.28 66.43 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.593 -0.692 . . . . 0.0 109.488 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 0.0 109.578 -179.82 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.285 0.564 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.555 ' CZ ' ' CD ' ' C' ' 333' ' ' ARG . 13.6 m-85 -111.38 109.62 19.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.219 -0.926 . . . . 0.0 109.485 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.579 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 33.6 m-85 -97.17 174.0 6.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.156 -0.965 . . . . 0.0 109.354 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.572 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -130.56 136.41 48.89 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.71 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.544 HD11 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -119.13 89.49 3.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.31 -0.869 . . . . 0.0 108.897 179.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.0 mt-30 -82.18 112.12 18.92 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.235 -0.916 . . . . 0.0 109.76 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.21 136.86 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.182 -0.949 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.522 ' CD ' ' CZ ' ' C' ' 327' ' ' TYR . 1.2 ttp85 -95.23 130.37 42.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.258 -0.901 . . . . 0.0 109.42 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 136.17 -124.24 3.17 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 0.7 OUTLIER 178.54 -52.15 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -1.124 . . . . 0.0 109.251 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.61 -50.62 62.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 108.939 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.413 ' HD3' HD23 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -56.03 -43.89 78.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.225 -0.922 . . . . 0.0 108.858 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 75.5 t80 -57.72 -37.84 74.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.293 -0.879 . . . . 0.0 109.056 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 9.1 mt-10 -61.78 -42.04 98.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 0.0 108.802 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.434 ' HE1' HD23 ' B' ' 344' ' ' LEU . 10.3 mtm -58.43 -51.65 68.95 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' D' ' 345' ' ' ASN . 3.3 m-85 -61.99 -24.41 67.01 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.324 -0.86 . . . . 0.0 109.105 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -71.79 -28.35 63.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.331 -0.855 . . . . 0.0 108.904 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -78.27 -55.69 5.05 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.331 -0.855 . . . . 0.0 109.224 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.491 HD13 ' HB3' ' A' ' 344' ' ' LEU . 0.9 OUTLIER -55.22 -43.77 74.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.212 -0.93 . . . . 0.0 108.723 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.482 ' ND2' HD22 ' C' ' 330' ' ' LEU . 8.6 t-20 -65.49 -27.8 68.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.456 -0.777 . . . . 0.0 109.418 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.42 -45.41 65.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 109.39 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.68 -47.61 77.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 109.203 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.422 HD23 ' HD3' ' C' ' 337' ' ' ARG . 20.8 mt -54.92 -55.78 26.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.197 -0.939 . . . . 0.0 108.841 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -56.76 -27.36 59.37 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.544 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.2 OUTLIER -67.18 -38.33 85.21 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.477 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 15.9 ttpp -56.36 -39.94 73.71 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -28.16 66.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.571 -0.705 . . . . 0.0 109.457 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 109.657 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.53 ' CE1' ' HD2' ' B' ' 333' ' ' ARG . 2.6 m-85 -104.17 127.71 51.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.612 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 37.4 m-85 -123.94 174.04 7.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -0.881 . . . . 0.0 109.194 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.548 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -134.85 132.02 38.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.0 109.901 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' B' ' 330' ' ' LEU . 0.2 OUTLIER -111.83 96.72 6.23 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 8.7 mt-30 -87.7 110.02 20.13 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.125 -0.985 . . . . 0.0 108.81 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.15 145.23 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.421 -0.799 . . . . 0.0 109.658 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.497 ' HD2' ' CE1' ' B' ' 327' ' ' TYR . 19.8 ttt-85 -111.59 89.11 2.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.366 -0.834 . . . . 0.0 109.225 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.22 -120.8 0.77 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -179.16 -45.21 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.25 -1.147 . . . . 0.0 109.324 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -73.96 -57.52 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.272 -0.893 . . . . 0.0 109.199 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.445 ' HD2' ' HB3' ' B' ' 348' ' ' LEU . 38.5 mtm-85 -51.26 -45.6 62.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.137 -0.977 . . . . 0.0 108.944 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.23 -38.67 65.97 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.319 -0.863 . . . . 0.0 109.322 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.96 -42.93 84.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.12 -0.987 . . . . 0.0 109.466 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.491 ' CE ' HD23 ' C' ' 344' ' ' LEU . 23.2 mtp -53.54 -55.6 24.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.867 . . . . 0.0 109.441 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -57.2 -32.85 66.89 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.854 0.835 . . . . 0.0 109.266 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -58.58 -42.35 87.83 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.39 0.614 . . . . 0.0 109.397 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.475 ' HB3' ' HE2' ' C' ' 340' ' ' MET . 2.6 tp10 -66.81 -47.78 70.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.289 -0.882 . . . . 0.0 109.649 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.562 ' HG ' ' HG ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -55.32 -44.91 76.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.393 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.451 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.3 m-20 -66.54 -25.27 66.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.319 -0.863 . . . . 0.0 109.894 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -57.34 6.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.311 -0.868 . . . . 0.0 109.983 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.419 ' C ' ' HB3' ' D' ' 347' ' ' ALA . . . -65.85 -48.32 72.0 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.321 -0.862 . . . . 0.0 110.228 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 344' ' ' LEU . 31.6 mt -50.89 -49.8 58.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 109.209 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.39 -31.88 71.8 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.235 -0.915 . . . . 0.0 108.946 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.546 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 0.1 OUTLIER -73.91 -21.63 59.99 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 120.879 -1.138 . . . . 0.0 108.673 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.518 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 7.0 ttpt -66.39 -43.43 85.85 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -30.91 70.12 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.93 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.883 179.843 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.338 0.589 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.497 ' CE1' ' HD2' ' A' ' 333' ' ' ARG . 2.7 m-85 -103.68 127.61 51.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.236 -0.915 . . . . 0.0 109.509 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 37.5 m-85 -125.15 169.91 11.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.31 -0.869 . . . . 0.0 109.388 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.548 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -129.39 139.63 51.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.299 -0.876 . . . . 0.0 109.755 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.542 ' HB3' ' HB2' ' A' ' 330' ' ' LEU . 0.2 OUTLIER -119.14 87.89 2.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.505 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 7.9 mt-30 -79.37 110.37 14.6 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.176 -0.952 . . . . 0.0 109.752 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.05 145.55 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -0.841 . . . . 0.0 109.176 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.53 ' HD2' ' CE1' ' A' ' 327' ' ' TYR . 19.6 ttt-85 -111.96 88.43 2.8 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.222 -0.924 . . . . 0.0 109.263 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.03 -120.6 0.75 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -179.02 -44.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.252 -1.146 . . . . 0.0 109.349 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -73.81 -57.53 3.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.91 . . . . 0.0 109.156 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.403 ' HD2' ' HB3' ' A' ' 348' ' ' LEU . 38.6 mtm-85 -51.26 -47.07 62.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.158 -0.964 . . . . 0.0 109.081 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.434 ' CE2' ' CD2' ' A' ' 328' ' ' PHE . 11.4 t80 -53.05 -38.74 62.7 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.377 -0.827 . . . . 0.0 109.254 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.95 -44.02 81.68 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.151 -0.968 . . . . 0.0 109.205 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.475 ' HE2' ' HB3' ' D' ' 343' ' ' GLU . 26.2 mtp -53.45 -56.23 18.67 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.284 -0.885 . . . . 0.0 108.901 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -56.97 -29.61 63.37 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.47 -0.769 . . . . 0.0 109.035 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -61.7 -42.07 98.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.447 -0.783 . . . . 0.0 109.601 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.46 ' HB3' ' HE2' ' D' ' 340' ' ' MET . 2.6 tp10 -66.32 -47.84 72.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.28 -0.887 . . . . 0.0 109.823 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.509 ' HG ' ' HG ' ' C' ' 344' ' ' LEU . 0.9 OUTLIER -55.79 -44.53 77.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.177 -0.952 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.539 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.5 m-20 -65.55 -26.61 67.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 109.764 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -60.86 2.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.237 -0.914 . . . . 0.0 109.794 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.415 ' HA ' HD21 ' B' ' 350' ' ' LEU . . . -62.25 -49.65 74.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.23 -0.919 . . . . 0.0 109.955 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 344' ' ' LEU . 33.4 mt -50.04 -49.83 49.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.155 -0.965 . . . . 0.0 109.684 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -61.59 -34.34 75.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.18 -0.95 . . . . 0.0 109.159 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.545 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 0.1 OUTLIER -70.64 -22.54 62.5 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.256 -0.903 . . . . 0.0 108.913 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.525 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 7.4 ttpt -66.53 -41.88 88.08 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 0.0 108.907 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -27.05 64.07 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.372 -0.83 . . . . 0.0 108.998 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 0.0 109.383 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.301 0.572 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' D' ' 333' ' ' ARG . 2.7 m-85 -104.12 127.56 51.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.26 -0.9 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 38.0 m-85 -123.91 173.33 8.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 0.0 109.353 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.3 OUTLIER -133.3 134.95 44.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.0 109.775 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.531 ' CD2' ' ND2' ' D' ' 345' ' ' ASN . 0.2 OUTLIER -115.3 89.42 3.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 108.832 179.56 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 8.0 mt-30 -80.3 110.94 16.21 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.118 -0.989 . . . . 0.0 109.754 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.93 145.97 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.881 . . . . 0.0 109.387 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.522 ' HD2' ' CE1' ' D' ' 327' ' ' TYR . 18.9 ttt-85 -112.17 88.6 2.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.178 -0.951 . . . . 0.0 109.467 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.54 -120.53 0.75 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -178.9 -45.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.268 -1.136 . . . . 0.0 109.268 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -73.18 -58.09 3.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.297 -0.877 . . . . 0.0 109.188 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.474 ' HD2' ' HB3' ' D' ' 348' ' ' LEU . 40.0 mtm-85 -50.82 -46.43 59.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.271 -0.893 . . . . 0.0 109.077 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.424 ' CE2' ' CD2' ' D' ' 328' ' ' PHE . 11.1 t80 -53.48 -39.24 64.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.501 -0.749 . . . . 0.0 109.39 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.54 -43.82 84.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.259 -0.901 . . . . 0.0 109.212 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.475 ' HE2' ' HB3' ' A' ' 343' ' ' GLU . 26.6 mtp -53.55 -55.58 24.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -0.883 . . . . 0.0 108.798 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.402 ' CE1' ' CB ' ' D' ' 344' ' ' LEU . 17.2 m-85 -57.61 -29.25 64.35 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.432 -0.792 . . . . 0.0 109.14 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -62.07 -41.99 98.73 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.497 -0.752 . . . . 0.0 109.676 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.405 ' HB3' ' HE2' ' A' ' 340' ' ' MET . 2.7 tp10 -66.46 -48.01 71.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.244 -0.91 . . . . 0.0 109.621 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.509 ' HG ' ' HG ' ' B' ' 344' ' ' LEU . 0.6 OUTLIER -55.59 -44.23 76.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.247 -0.908 . . . . 0.0 109.376 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.51 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.3 m-20 -66.77 -25.85 66.68 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.196 -0.94 . . . . 0.0 109.83 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.81 -60.32 2.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 0.0 109.928 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.409 ' C ' ' HB3' ' B' ' 347' ' ' ALA . . . -62.54 -48.98 77.11 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.28 -0.887 . . . . 0.0 109.92 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' C' ' 344' ' ' LEU . 32.7 mt -51.02 -49.87 59.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.077 -1.015 . . . . 0.0 109.644 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.25 -34.05 74.53 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.258 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.525 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -70.86 -22.51 62.29 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.296 -0.877 . . . . 0.0 108.926 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.545 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 7.2 ttpt -66.56 -41.44 88.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.337 -0.852 . . . . 0.0 109.028 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -26.91 63.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.347 -0.846 . . . . 0.0 109.097 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.332 -0.855 . . . . 0.0 109.438 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.315 0.579 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.522 ' CE1' ' HD2' ' C' ' 333' ' ' ARG . 2.7 m-85 -103.88 127.49 51.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 0.0 109.57 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 39.6 m-85 -123.96 173.23 8.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 109.288 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.3 OUTLIER -133.12 134.71 44.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.142 -0.974 . . . . 0.0 109.929 -179.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.53 ' HB3' ' CB ' ' C' ' 330' ' ' LEU . 0.2 OUTLIER -115.14 89.31 3.07 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 8.1 mt-30 -80.34 110.8 16.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.167 -0.958 . . . . 0.0 109.684 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.61 145.78 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 0.0 109.431 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.524 ' HD2' ' CE1' ' C' ' 327' ' ' TYR . 19.9 ttt-85 -111.9 88.8 2.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.212 -0.93 . . . . 0.0 109.626 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.12 -120.79 0.77 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -178.41 -45.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -1.139 . . . . 0.0 109.345 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.23 -57.93 3.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.914 . . . . 0.0 109.221 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.485 ' HD2' ' HB3' ' C' ' 348' ' ' LEU . 39.9 mtm-85 -51.03 -46.12 61.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.178 -0.951 . . . . 0.0 109.109 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CE2' ' CD2' ' C' ' 328' ' ' PHE . 11.3 t80 -53.84 -38.87 65.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.369 -0.832 . . . . 0.0 109.235 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.81 -43.82 82.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.259 -0.9 . . . . 0.0 109.156 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.479 ' CE ' HD23 ' B' ' 344' ' ' LEU . 27.2 mtp -53.56 -56.07 20.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.184 -0.947 . . . . 0.0 108.853 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.407 ' CE1' ' CB ' ' C' ' 344' ' ' LEU . 17.3 m-85 -57.1 -29.12 63.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.505 -0.747 . . . . 0.0 109.127 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -62.29 -42.09 99.05 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.432 -0.793 . . . . 0.0 109.666 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.475 ' HB3' ' HE2' ' B' ' 340' ' ' MET . 2.6 tp10 -66.29 -47.98 71.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.0 109.783 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.562 ' HG ' ' HG ' ' A' ' 344' ' ' LEU . 0.5 OUTLIER -55.41 -44.77 76.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 109.386 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.531 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.4 m-20 -66.12 -25.81 67.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.251 -0.905 . . . . 0.0 109.907 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -60.52 2.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.872 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.44 ' HA ' HD21 ' D' ' 350' ' ' LEU . . . -62.23 -49.81 74.25 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.926 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' D' ' 344' ' ' LEU . 33.8 mt -50.21 -49.92 51.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.161 -0.962 . . . . 0.0 109.645 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.35 -34.32 75.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.239 -0.913 . . . . 0.0 109.229 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -70.48 -22.76 62.63 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.381 -0.825 . . . . 0.0 108.819 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.546 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 7.4 ttpt -66.44 -41.35 89.26 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.365 -0.835 . . . . 0.0 109.069 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -26.69 63.28 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.354 -0.841 . . . . 0.0 108.977 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 0.0 109.611 179.91 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.407 0.622 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.485 ' CZ ' ' HD3' ' B' ' 333' ' ' ARG . 29.9 m-85 -99.61 115.01 28.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.37 -0.831 . . . . 0.0 109.672 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 32.9 m-85 -111.83 132.48 54.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.212 -0.93 . . . . 0.0 109.099 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.534 HG23 ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -99.88 113.63 26.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 110.046 -179.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.559 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 0.5 OUTLIER -95.93 92.49 6.52 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -87.37 111.4 21.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.937 -1.102 . . . . 0.0 108.771 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 6.4 mt -111.97 120.25 61.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.358 -0.839 . . . . 0.0 109.925 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.46 ' HD3' ' CZ ' ' B' ' 327' ' ' TYR . 9.7 ttm180 -79.87 93.87 5.73 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 178.19 -131.11 1.69 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.314 -1.515 . . . . 0.0 109.314 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 1.7 ttt180 179.23 -61.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -1.15 . . . . 0.0 109.556 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.61 -39.98 93.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.693 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.53 ' CD ' HD11 ' B' ' 348' ' ' LEU . 6.7 mtm105 -72.34 -24.87 61.36 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.946 -1.096 . . . . 0.0 108.666 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.572 ' CZ ' ' HG ' ' B' ' 330' ' ' LEU . 40.5 t80 -67.6 -32.0 72.43 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.316 -0.865 . . . . 0.0 108.733 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 23.8 mt-10 -72.43 -48.5 40.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.292 -0.88 . . . . 0.0 109.233 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.449 ' O ' HD21 ' A' ' 344' ' ' LEU . 2.9 mtm -48.77 -54.98 12.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.654 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.561 ' CE2' ' ND2' ' B' ' 345' ' ' ASN . 8.6 m-85 -63.33 -35.5 80.6 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 121.68 0.752 . . . . 0.0 109.455 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -32.27 69.47 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -74.61 -52.01 12.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 109.56 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.548 ' HB3' ' CD1' ' D' ' 344' ' ' LEU . 1.8 mm? -55.12 -37.69 67.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.929 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.612 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 2.7 m-20 -75.72 -25.05 56.28 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.356 -0.84 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.29 -44.38 71.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.332 -0.855 . . . . 0.0 109.711 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.545 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -68.6 -49.19 61.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.19 -0.944 . . . . 0.0 109.627 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.53 HD11 ' CD ' ' B' ' 337' ' ' ARG . 57.1 mt -53.53 -46.67 70.23 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.33 -31.3 71.9 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.545 ' CD2' ' HA ' ' A' ' 347' ' ' ALA . 0.2 OUTLIER -67.7 -27.13 66.56 Favored 'General case' 0 C--N 1.311 -1.08 0 O-C-N 121.042 -1.036 . . . . 0.0 108.465 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.479 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 4.2 tptt -65.76 -42.5 90.82 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.95 -40.66 89.78 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.641 -0.824 . . . . 0.0 108.897 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.751 0 O-C-N 121.293 -0.879 . . . . 0.0 109.634 179.867 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.339 0.59 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.46 ' CZ ' ' HD3' ' A' ' 333' ' ' ARG . 32.4 m-85 -98.81 115.87 29.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.495 -0.753 . . . . 0.0 109.638 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 338' ' ' PHE . 30.9 m-85 -112.89 131.52 55.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.405 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.534 ' CG2' HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -98.29 121.23 39.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.168 -0.958 . . . . 0.0 109.469 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.572 ' HG ' ' CZ ' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -103.98 77.44 1.44 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.531 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -73.99 112.41 10.1 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.368 -0.833 . . . . 0.0 109.978 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.51 122.93 67.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.3 -0.875 . . . . 0.0 109.004 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 327' ' ' TYR . 10.5 ttm180 -83.24 89.79 7.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.883 . . . . 0.0 108.926 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . -178.35 -130.08 1.37 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 1.8 ttt180 179.49 -60.89 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.202 -1.175 . . . . 0.0 109.564 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.59 -40.36 91.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 109.639 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.53 ' CD ' HD11 ' A' ' 348' ' ' LEU . 7.6 mtm105 -72.29 -25.75 61.71 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.074 -1.016 . . . . 0.0 109.171 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.559 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 40.3 t80 -67.14 -31.55 72.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.333 -0.854 . . . . 0.0 108.752 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 22.3 mt-10 -72.91 -49.54 29.02 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.418 -0.801 . . . . 0.0 109.034 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.459 ' SD ' ' HA ' ' D' ' 340' ' ' MET . 3.5 mtm -48.84 -56.02 9.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.309 -0.869 . . . . 0.0 109.032 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.612 ' CE2' ' ND2' ' A' ' 345' ' ' ASN . 11.8 m-85 -62.95 -32.27 73.55 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.503 -0.748 . . . . 0.0 109.396 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.409 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -62.04 -31.21 71.59 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.375 -179.615 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.74 -52.64 10.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.282 -0.886 . . . . 0.0 109.763 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.521 ' HB3' ' CD1' ' C' ' 344' ' ' LEU . 1.5 mm? -54.7 -38.53 67.15 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.187 -0.945 . . . . 0.0 109.168 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.561 ' ND2' ' CE2' ' A' ' 341' ' ' PHE . 3.1 m-20 -73.92 -26.01 60.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.398 -0.814 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.29 -44.88 70.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.349 -0.845 . . . . 0.0 109.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.519 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . . . -67.17 -51.44 53.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.257 -0.902 . . . . 0.0 109.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.53 HD11 ' CD ' ' A' ' 337' ' ' ARG . 57.8 mt -52.23 -45.99 65.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.184 -0.948 . . . . 0.0 108.796 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.18 -32.4 73.79 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.533 ' CD1' HD13 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -65.54 -28.98 69.56 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.486 ' N ' ' HG ' ' B' ' 350' ' ' LEU . 4.4 tptt -64.21 -42.85 96.43 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.68 -40.35 87.55 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.459 -0.776 . . . . 0.0 109.042 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.296 -0.878 . . . . 0.0 109.313 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.337 0.589 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' D' ' 333' ' ' ARG . 30.7 m-85 -100.08 115.23 29.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.558 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.469 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 31.5 m-85 -111.81 132.75 54.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.199 -0.938 . . . . 0.0 109.271 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.53 HG23 ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -99.94 116.36 31.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 110.004 -179.5 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.541 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -99.18 80.75 2.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.266 -0.896 . . . . 0.0 108.814 179.318 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -76.55 112.93 13.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.0 109.837 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.65 121.06 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 109.393 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.505 ' HD3' ' CZ ' ' D' ' 327' ' ' TYR . 10.0 ttm180 -81.02 91.07 6.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.894 . . . . 0.0 109.312 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.447 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . -179.36 -130.52 1.47 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 1.8 ttt180 179.51 -61.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -1.098 . . . . 0.0 109.482 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.47 -40.28 90.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.251 -0.905 . . . . 0.0 109.652 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.518 ' NH2' ' HB2' ' C' ' 337' ' ' ARG . 7.5 mtm105 -72.47 -25.28 61.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.109 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.549 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 42.1 t80 -67.52 -31.9 72.32 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.227 -0.921 . . . . 0.0 108.79 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 22.3 mt-10 -72.35 -49.5 33.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.818 . . . . 0.0 108.998 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.442 ' HA ' ' SD ' ' A' ' 340' ' ' MET . 3.4 mtm -48.82 -55.18 12.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.327 -0.858 . . . . 0.0 108.957 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.601 ' CE2' ' ND2' ' D' ' 345' ' ' ASN . 11.7 m-85 -63.5 -31.62 72.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.431 -0.793 . . . . 0.0 109.516 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.405 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -62.94 -30.38 71.52 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.264 -0.898 . . . . 0.0 109.46 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -75.11 -52.69 10.39 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.132 -0.98 . . . . 0.0 109.532 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.529 ' HB2' ' CE1' ' D' ' 341' ' ' PHE . 1.6 mm? -55.07 -38.76 68.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.593 ' ND2' ' CE2' ' D' ' 341' ' ' PHE . 2.8 m-20 -74.13 -25.27 59.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.834 . . . . 0.0 109.226 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.27 -44.44 68.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.358 -0.839 . . . . 0.0 109.468 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . . . -67.6 -49.54 62.6 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.241 -0.912 . . . . 0.0 109.29 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.494 HD11 ' CD ' ' D' ' 337' ' ' ARG . 57.7 mt -54.34 -45.54 72.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.057 -1.027 . . . . 0.0 108.739 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -63.27 -31.95 73.23 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -66.04 -29.47 69.83 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.367 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.495 ' N ' ' HG ' ' C' ' 350' ' ' LEU . 4.3 tptt -63.64 -42.3 98.15 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.31 -40.2 89.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.336 -0.852 . . . . 0.0 109.207 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.361 -0.837 . . . . 0.0 109.309 179.882 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.342 0.591 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.505 ' CZ ' ' HD3' ' C' ' 333' ' ' ARG . 31.1 m-85 -100.26 115.08 29.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.626 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.491 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 31.9 m-85 -111.64 132.85 54.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.158 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.53 ' CG2' HG23 ' C' ' 329' ' ' THR . 0.2 OUTLIER -100.11 116.24 31.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.307 -0.871 . . . . 0.0 109.943 -179.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.549 ' HG ' ' CZ ' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -99.05 80.66 2.49 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.301 -0.874 . . . . 0.0 108.799 179.324 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -76.4 112.86 13.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.883 . . . . 0.0 109.826 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 5.8 mt -113.38 120.91 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.344 -0.847 . . . . 0.0 109.469 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.517 ' HD3' ' CZ ' ' C' ' 327' ' ' TYR . 10.1 ttm180 -80.95 91.08 5.98 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.9 . . . . 0.0 109.432 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . -179.5 -130.68 1.5 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 1.8 ttt180 179.89 -60.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.278 -1.13 . . . . 0.0 109.491 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.56 -40.2 90.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.623 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.508 ' NH2' ' HB2' ' D' ' 337' ' ' ARG . 7.2 mtm105 -72.54 -25.42 61.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.087 -1.008 . . . . 0.0 109.071 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.541 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 41.9 t80 -67.34 -31.98 72.62 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.295 -0.878 . . . . 0.0 108.778 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 22.5 mt-10 -72.28 -49.54 33.97 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.301 -0.875 . . . . 0.0 108.9 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.459 ' HA ' ' SD ' ' B' ' 340' ' ' MET . 3.5 mtm -48.66 -55.53 11.03 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.234 -0.916 . . . . 0.0 109.025 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.593 ' CE2' ' ND2' ' C' ' 345' ' ' ASN . 11.5 m-85 -63.26 -31.63 72.83 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.485 -0.759 . . . . 0.0 109.555 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -30.55 71.57 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.295 -0.878 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.417 ' HB3' ' HE3' ' B' ' 340' ' ' MET . 16.9 tp10 -75.26 -52.16 11.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.197 -0.939 . . . . 0.0 109.615 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.548 ' CD1' ' HB3' ' A' ' 344' ' ' LEU . 1.5 mm? -55.28 -38.71 68.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.149 -0.969 . . . . 0.0 109.215 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' C' ' 341' ' ' PHE . 2.9 m-20 -74.34 -25.09 59.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 0.0 109.251 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.08 -45.02 67.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.323 -0.861 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.519 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . . . -66.84 -51.47 55.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.166 -0.959 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.509 HD11 ' CD ' ' C' ' 337' ' ' ARG . 59.9 mt -52.43 -46.08 66.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.225 -0.922 . . . . 0.0 108.807 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.95 -32.52 73.84 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.531 ' CD1' HD13 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -65.37 -29.15 69.84 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.362 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.491 ' N ' ' HG ' ' D' ' 350' ' ' LEU . 4.2 tptt -64.29 -42.59 96.31 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.92 -39.68 86.29 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.325 -0.86 . . . . 0.0 109.079 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.355 -0.841 . . . . 0.0 109.325 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -130.41 175.88 8.6 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -1.139 . . . . 0.0 109.528 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 10.7 m-85 -112.45 130.06 56.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.258 -0.901 . . . . 0.0 109.305 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.567 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 96.4 m-85 -123.37 154.04 39.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 0.0 109.556 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.463 HG23 HG23 ' B' ' 329' ' ' THR . 0.3 OUTLIER -108.02 134.55 50.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.354 -0.841 . . . . 0.0 109.5 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -116.32 95.13 4.93 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.2 OUTLIER -89.92 112.57 23.99 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.212 -0.93 . . . . 0.0 109.009 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.462 HG12 ' OD1' ' B' ' 345' ' ' ASN . 3.2 mt -113.04 149.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.343 -0.848 . . . . 0.0 109.982 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.401 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 1.9 ttp85 -93.71 148.8 21.78 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.64 -147.92 18.91 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 18.9 ttt180 -158.85 -49.27 0.06 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -1.132 . . . . 0.0 109.368 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.29 -48.62 49.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 0.0 109.431 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.466 ' HD2' ' CD1' ' B' ' 348' ' ' LEU . 23.7 mtm-85 -53.62 -43.36 68.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.176 -0.952 . . . . 0.0 109.234 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.564 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 79.2 t80 -57.0 -35.55 69.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.228 -0.92 . . . . 0.0 109.106 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 21.9 mt-10 -66.08 -39.31 89.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 108.984 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.459 ' O ' ' CD2' ' A' ' 344' ' ' LEU . 9.4 mtm -54.78 -57.49 11.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 0.0 109.398 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' B' ' 344' ' ' LEU . 9.7 m-85 -58.26 -36.03 72.65 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.672 0.749 . . . . 0.0 109.521 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -35.71 76.76 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.416 ' HG2' ' HE3' ' C' ' 340' ' ' MET . 1.1 tp10 -69.0 -47.77 64.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.0 109.104 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' D' ' 344' ' ' LEU . 1.9 mm? -58.05 -35.15 70.91 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.259 -0.901 . . . . 0.0 108.775 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.459 ' OD1' HG12 ' B' ' 332' ' ' ILE . 7.0 m-20 -81.05 -19.64 43.37 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.329 -0.857 . . . . 0.0 109.264 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.4 -39.12 71.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.415 -0.803 . . . . 0.0 109.05 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' D' ' 347' ' ' ALA . . . -74.98 -45.84 39.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.339 -0.851 . . . . 0.0 108.922 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.473 HD22 ' HB1' ' D' ' 347' ' ' ALA . 69.3 mt -53.44 -48.14 69.06 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -32.14 71.29 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.583 HD11 ' NE2' ' D' ' 354' ' ' GLN . 0.2 OUTLIER -65.63 -30.65 71.38 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.546 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 29.7 tttm -61.52 -45.89 92.29 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -22.14 66.43 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.03 30.43 4.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.555 -0.716 . . . . 0.0 109.633 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.479 ' NE2' HD11 ' D' ' 350' ' ' LEU . 3.5 mt-30 -84.74 60.94 6.45 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.344 -0.848 . . . . 0.0 109.601 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.396 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -130.58 175.94 8.58 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.205 -1.173 . . . . 0.0 109.414 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 10.6 m-85 -112.61 130.18 56.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.56 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 95.8 m-85 -123.64 153.99 39.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.189 -0.944 . . . . 0.0 109.753 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.463 HG23 HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -106.84 140.1 40.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.186 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.564 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.9 OUTLIER -121.38 86.59 2.6 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.294 -0.879 . . . . 0.0 108.978 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -82.3 113.23 19.96 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.277 -0.89 . . . . 0.0 109.68 -179.587 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.459 HG12 ' OD1' ' A' ' 345' ' ' ASN . 3.2 mt -114.21 148.81 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.252 -0.905 . . . . 0.0 109.699 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.421 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 2.1 ttp85 -92.95 149.54 21.17 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.293 -0.879 . . . . 0.0 109.056 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.28 -147.94 18.78 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 18.8 ttt180 -158.35 -48.7 0.06 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.262 -1.14 . . . . 0.0 109.493 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -71.28 -48.21 52.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.277 -0.89 . . . . 0.0 109.503 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.441 ' HD2' HD11 ' A' ' 348' ' ' LEU . 21.8 mtm-85 -53.91 -43.58 69.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.181 -0.949 . . . . 0.0 109.406 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.571 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 79.3 t80 -57.03 -34.92 68.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.912 . . . . 0.0 109.121 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 18.7 mt-10 -66.59 -40.03 88.71 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.258 -0.901 . . . . 0.0 109.003 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.449 ' HE3' ' HG2' ' D' ' 343' ' ' GLU . 11.9 mtm -55.39 -58.18 8.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 108.833 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' A' ' 344' ' ' LEU . 12.3 m-85 -57.42 -34.26 68.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.47 -0.768 . . . . 0.0 109.266 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -35.0 77.94 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.389 -0.82 . . . . 0.0 109.344 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.424 ' HG2' ' HE3' ' D' ' 340' ' ' MET . 1.1 tp10 -69.02 -48.2 63.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 109.144 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.535 ' HB3' ' CD1' ' C' ' 344' ' ' LEU . 1.9 mm? -58.69 -33.06 69.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.188 -0.945 . . . . 0.0 108.703 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.462 ' OD1' HG12 ' A' ' 332' ' ' ILE . 7.8 m-20 -82.36 -20.5 37.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.447 -0.783 . . . . 0.0 108.994 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.85 -39.14 73.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.38 -0.825 . . . . 0.0 108.921 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.465 ' HB1' HD22 ' C' ' 348' ' ' LEU . . . -74.09 -47.52 35.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 108.849 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 337' ' ' ARG . 66.1 mt -52.57 -47.56 66.76 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -34.04 73.9 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.535 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.2 OUTLIER -63.38 -31.0 72.04 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 30.0 tttm -61.73 -44.87 96.09 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -21.07 65.81 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -103.11 30.8 4.61 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.421 -0.8 . . . . 0.0 109.346 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.496 ' NE2' HD11 ' C' ' 350' ' ' LEU . 3.4 mt-30 -84.95 60.92 6.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.306 -0.871 . . . . 0.0 109.496 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.339 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -130.78 175.74 8.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.252 -1.146 . . . . 0.0 109.442 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.517 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 10.6 m-85 -112.51 130.3 56.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.574 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 96.7 m-85 -123.34 155.0 38.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.189 -0.945 . . . . 0.0 109.68 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.408 HG23 HG23 ' D' ' 329' ' ' THR . 0.2 OUTLIER -108.39 136.31 48.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.892 . . . . 0.0 109.572 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.9 OUTLIER -117.83 88.73 2.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.917 . . . . 0.0 109.301 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -84.17 112.91 20.68 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.276 -0.89 . . . . 0.0 109.577 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.464 HG12 ' OD1' ' D' ' 345' ' ' ASN . 3.2 mt -113.88 149.44 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.91 . . . . 0.0 109.768 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.503 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 2.2 ttp85 -93.47 149.36 21.29 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.293 -0.88 . . . . 0.0 109.193 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.28 -147.4 18.77 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 18.9 ttt180 -158.76 -48.67 0.06 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -1.198 . . . . 0.0 109.512 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -71.24 -48.47 50.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.226 -0.921 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.452 ' HD2' HD11 ' D' ' 348' ' ' LEU . 22.0 mtm-85 -53.89 -43.05 69.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 109.426 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 79.8 t80 -57.41 -35.27 69.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.249 -0.907 . . . . 0.0 109.121 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 18.9 mt-10 -66.15 -39.78 90.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.32 -0.863 . . . . 0.0 108.992 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.426 ' O ' ' CD2' ' C' ' 344' ' ' LEU . 11.6 mtm -55.44 -57.63 11.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.235 -0.916 . . . . 0.0 108.764 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' D' ' 344' ' ' LEU . 12.3 m-85 -57.81 -33.76 68.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.499 -0.75 . . . . 0.0 109.426 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.53 77.77 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.429 -0.795 . . . . 0.0 109.408 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.52 -48.19 61.32 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.22 -0.925 . . . . 0.0 109.014 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.535 ' CD1' ' HB3' ' B' ' 344' ' ' LEU . 1.8 mm? -58.61 -33.06 69.6 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 108.753 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.46 ' OD1' HG12 ' D' ' 332' ' ' ILE . 6.9 m-20 -82.77 -20.37 36.0 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 109.036 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -71.52 -38.59 71.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.387 -0.821 . . . . 0.0 108.884 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.45 ' HB1' HD22 ' B' ' 348' ' ' LEU . . . -74.66 -45.84 41.98 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.408 -0.807 . . . . 0.0 108.872 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.469 HD21 ' HD3' ' D' ' 337' ' ' ARG . 63.6 mt -54.45 -47.15 73.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.137 -0.977 . . . . 0.0 108.394 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.83 -34.48 74.61 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.2 OUTLIER -62.73 -31.2 72.09 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.535 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 29.9 tttm -61.39 -44.74 96.64 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -20.36 65.51 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -103.84 30.89 4.8 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.502 -0.749 . . . . 0.0 109.259 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.53 ' NE2' HD11 ' B' ' 350' ' ' LEU . 3.2 mt-30 -84.94 60.71 6.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.302 -0.874 . . . . 0.0 109.447 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.396 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -130.97 176.01 8.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -1.17 . . . . 0.0 109.467 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.503 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 10.9 m-85 -112.71 130.13 56.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 109.451 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.588 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 96.8 m-85 -123.18 154.57 38.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 0.0 109.599 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.408 HG23 HG23 ' C' ' 329' ' ' THR . 0.2 OUTLIER -108.12 136.16 48.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.507 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.9 OUTLIER -117.7 88.76 2.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.866 . . . . 0.0 109.294 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -84.11 113.02 20.75 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.898 . . . . 0.0 109.524 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.46 HG12 ' OD1' ' C' ' 345' ' ' ASN . 3.2 mt -113.92 149.57 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.236 -0.915 . . . . 0.0 109.683 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 2.2 ttp85 -93.59 149.25 21.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.378 -0.826 . . . . 0.0 109.253 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.38 -147.13 18.78 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 18.6 ttt180 -158.66 -49.05 0.06 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.179 -1.189 . . . . 0.0 109.462 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -70.91 -48.73 52.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.257 -0.902 . . . . 0.0 109.442 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.469 ' HD3' HD21 ' C' ' 348' ' ' LEU . 21.9 mtm-85 -53.71 -43.17 68.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.394 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.578 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 79.7 t80 -57.32 -35.29 69.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -0.939 . . . . 0.0 109.105 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 18.8 mt-10 -65.96 -40.32 91.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.32 -0.863 . . . . 0.0 108.936 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.424 ' HE3' ' HG2' ' B' ' 343' ' ' GLU . 11.4 mtm -55.02 -57.66 10.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 0.0 108.873 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 12.2 m-85 -57.78 -33.67 68.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.425 -0.797 . . . . 0.0 109.419 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -34.71 78.18 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.423 -0.798 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.449 ' HG2' ' HE3' ' B' ' 340' ' ' MET . 1.1 tp10 -69.19 -48.19 62.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.184 -0.948 . . . . 0.0 109.01 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.559 ' CD1' ' HB3' ' A' ' 344' ' ' LEU . 1.8 mm? -58.7 -33.18 69.89 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.302 -0.874 . . . . 0.0 108.846 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.464 ' OD1' HG12 ' C' ' 332' ' ' ILE . 7.1 m-20 -82.59 -20.19 36.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.419 -0.801 . . . . 0.0 109.006 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -71.39 -38.84 71.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.445 -0.784 . . . . 0.0 108.96 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 347' ' ' ALA . . . -74.21 -47.33 36.18 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.469 HD22 ' HB1' ' A' ' 347' ' ' ALA . 64.0 mt -52.94 -47.25 68.19 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -34.44 74.95 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.546 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.2 OUTLIER -62.46 -31.83 72.61 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.245 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 30.1 tttm -61.07 -45.28 95.38 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -20.5 65.95 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -103.9 30.67 4.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.813 . . . . 0.0 109.282 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.583 ' NE2' HD11 ' A' ' 350' ' ' LEU . 3.4 mt-30 -84.95 60.7 6.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.374 -0.828 . . . . 0.0 109.46 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.471 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.86 -164.85 2.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.372 -1.075 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -108.11 141.72 39.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.345 -0.847 . . . . 0.0 109.585 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.499 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 14.3 m-85 -139.47 148.25 42.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.348 -0.845 . . . . 0.0 109.131 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.536 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -109.41 136.98 47.95 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 109.958 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.583 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -118.91 96.13 5.12 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.45 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 76.2 mt-30 -88.59 115.57 26.21 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.177 -0.952 . . . . 0.0 109.177 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mt -119.5 150.79 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.441 -0.787 . . . . 0.0 109.746 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -95.25 158.54 15.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.322 -0.861 . . . . 0.0 109.15 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 106.9 -127.12 8.71 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 19.8 ttt180 178.53 -49.13 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.273 -1.134 . . . . 0.0 109.268 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -55.82 8.69 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.281 -0.887 . . . . 0.0 109.458 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.7 -37.3 50.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.115 -0.99 . . . . 0.0 109.058 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 60.2 t80 -60.23 -47.1 87.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.256 -0.903 . . . . 0.0 109.377 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.8 -33.37 75.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.225 -0.922 . . . . 0.0 109.403 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.489 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 3.3 mtp -56.15 -55.42 33.24 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.962 0.887 . . . . 0.0 109.555 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.587 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 15.9 m-85 -59.55 -37.14 77.62 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.853 0.835 . . . . 0.0 108.915 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.514 ' HA ' ' ND2' ' A' ' 345' ' ' ASN . 4.1 ttt180 -50.48 -37.09 36.72 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 2.0 tp10 -72.92 -54.34 8.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.397 -0.814 . . . . 0.0 110.084 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.521 ' HB2' ' CE1' ' B' ' 341' ' ' PHE . 1.8 mm? -50.78 -60.39 3.11 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.897 -1.127 . . . . 0.0 109.289 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.514 ' ND2' ' HA ' ' A' ' 342' ' ' ARG . 0.8 OUTLIER -58.34 -23.48 56.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.049 -1.032 . . . . 0.0 109.381 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 343' ' ' GLU . 2.3 mt-10 -65.48 -43.88 88.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.171 -0.956 . . . . 0.0 109.7 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.478 ' HA ' HD21 ' A' ' 350' ' ' LEU . . . -72.87 -47.17 48.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.114 -0.991 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.465 HD21 ' HB1' ' D' ' 347' ' ' ALA . 84.4 mt -50.67 -45.87 58.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.145 -0.972 . . . . 0.0 108.563 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -62.94 -34.6 77.82 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.598 HD13 ' HG3' ' A' ' 354' ' ' GLN . 0.1 OUTLIER -67.67 -22.4 65.3 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.354 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.543 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 3.6 ttpp -68.91 -42.86 76.29 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -38.98 93.17 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 120.049 -0.661 . . . . 0.0 109.433 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.67 -5.12 46.6 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.147 -0.971 . . . . 0.0 109.631 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.598 ' HG3' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -80.42 -85.38 0.09 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.41 -0.806 . . . . 0.0 109.581 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.536 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.84 -162.46 1.56 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.316 -1.108 . . . . 0.0 109.407 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.46 141.44 43.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.185 -0.947 . . . . 0.0 109.399 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 14.3 m-85 -139.65 147.59 41.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.923 . . . . 0.0 109.54 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.536 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -107.15 144.28 34.12 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.227 -0.921 . . . . 0.0 109.47 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -125.99 86.01 2.47 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 78.7 mt-30 -79.91 116.49 20.08 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 110.146 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.22 152.03 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.317 -0.864 . . . . 0.0 109.253 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -96.74 158.6 15.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 0.0 109.168 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 106.65 -126.92 8.66 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 20.1 ttt180 178.71 -49.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -1.119 . . . . 0.0 109.315 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -55.16 11.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 0.0 109.492 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -38.65 58.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 109.286 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.583 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 63.8 t80 -58.71 -48.42 81.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.286 -0.884 . . . . 0.0 109.295 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -62.28 -33.13 74.04 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.312 -0.867 . . . . 0.0 109.297 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.492 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 3.0 mtp -57.13 -55.85 29.36 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.339 -0.85 . . . . 0.0 108.971 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.587 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 21.6 m-85 -59.6 -34.66 73.03 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.377 -0.827 . . . . 0.0 108.897 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.506 ' HA ' ' ND2' ' B' ' 345' ' ' ASN . 4.3 ttt180 -52.96 -33.71 52.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.483 -0.761 . . . . 0.0 109.139 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.0 tp10 -75.82 -53.77 7.95 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 0.0 110.141 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 341' ' ' PHE . 1.7 mm? -51.17 -59.29 4.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.95 -1.094 . . . . 0.0 109.14 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.506 ' ND2' ' HA ' ' B' ' 342' ' ' ARG . 0.7 OUTLIER -59.11 -23.02 61.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.173 -0.954 . . . . 0.0 109.153 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 2.1 mt-10 -66.86 -43.89 82.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 0.0 109.393 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.474 ' HA ' HD21 ' B' ' 350' ' ' LEU . . . -72.08 -48.64 42.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.182 -0.949 . . . . 0.0 109.36 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.469 HD21 ' HB1' ' C' ' 347' ' ' ALA . 84.8 mt -49.72 -46.38 50.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 109.005 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.89 -35.98 81.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.315 -0.866 . . . . 0.0 108.674 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.1 OUTLIER -65.27 -24.06 67.21 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.298 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.543 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 3.6 ttpp -67.83 -42.05 82.07 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -38.11 89.87 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.444 -0.785 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.69 -5.52 48.32 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.305 -0.872 . . . . 0.0 109.461 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.525 ' HG3' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -81.25 -85.04 0.1 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.267 -0.896 . . . . 0.0 109.458 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' B' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.493 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.393 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.21 -162.31 1.53 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -1.168 . . . . 0.0 109.446 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.59 141.25 44.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.175 -0.953 . . . . 0.0 109.508 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 14.3 m-85 -138.93 148.37 43.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.46 HG21 HG21 ' D' ' 329' ' ' THR . 0.3 OUTLIER -108.94 139.53 43.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.18 -0.95 . . . . 0.0 109.771 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -121.69 88.54 2.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.339 -0.85 . . . . 0.0 108.887 179.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.447 ' HG2' HG22 ' D' ' 329' ' ' THR . 77.4 mt-30 -82.01 116.55 21.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.221 -0.924 . . . . 0.0 109.813 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.2 152.98 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 109.238 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.37 157.94 15.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 109.322 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 106.7 -126.98 8.68 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 20.2 ttt180 179.08 -49.1 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.17 -1.194 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.2 -55.46 10.55 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 109.452 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.11 -38.57 57.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.17 -0.956 . . . . 0.0 109.201 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 62.2 t80 -58.79 -48.5 81.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.245 -0.91 . . . . 0.0 109.361 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 12.0 mt-10 -61.92 -33.18 73.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.213 -0.929 . . . . 0.0 109.261 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.489 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 3.1 mtp -57.02 -55.23 37.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.312 -0.868 . . . . 0.0 108.946 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.531 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 22.6 m-85 -60.1 -34.29 73.29 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.305 -0.872 . . . . 0.0 108.869 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.495 ' HA ' ' ND2' ' C' ' 345' ' ' ASN . 3.4 ttt180 -53.19 -32.93 50.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.38 -0.825 . . . . 0.0 109.29 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.0 tp10 -76.55 -53.75 7.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.359 -0.838 . . . . 0.0 110.076 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.532 ' HB2' ' CE1' ' D' ' 341' ' ' PHE . 1.7 mm? -51.3 -59.66 3.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.907 -1.121 . . . . 0.0 109.172 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.495 ' ND2' ' HA ' ' C' ' 342' ' ' ARG . 0.8 OUTLIER -59.36 -22.34 61.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.134 -0.979 . . . . 0.0 109.272 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' C' ' 343' ' ' GLU . 2.1 mt-10 -67.57 -44.1 79.03 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.287 -0.883 . . . . 0.0 109.325 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.471 ' HA ' HD21 ' C' ' 350' ' ' LEU . . . -72.13 -46.0 58.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.27 -0.894 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.427 HD21 ' HB1' ' B' ' 347' ' ' ALA . 84.5 mt -52.69 -46.02 67.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.032 -1.043 . . . . 0.0 108.972 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.68 -35.94 81.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.322 -0.861 . . . . 0.0 108.733 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.543 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -65.5 -23.72 66.96 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.422 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 3.7 ttpp -68.11 -41.69 81.41 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -37.64 88.31 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.487 -0.758 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.09 -5.17 47.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.0 109.595 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.507 ' HG3' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -81.8 -84.86 0.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.231 -0.918 . . . . 0.0 109.479 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' C' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.009 -0.995 . . . . 0.0 109.518 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.09 -162.77 1.63 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.37 -1.076 . . . . 0.0 109.427 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.33 141.27 43.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -0.871 . . . . 0.0 109.393 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 14.2 m-85 -138.89 148.26 43.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.0 109.408 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.46 HG21 HG21 ' C' ' 329' ' ' THR . 0.3 OUTLIER -108.84 139.61 43.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -0.938 . . . . 0.0 109.834 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -121.79 88.47 2.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.314 -0.866 . . . . 0.0 108.911 179.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.455 ' HG2' HG22 ' C' ' 329' ' ' THR . 77.5 mt-30 -81.87 116.43 21.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.29 -0.882 . . . . 0.0 109.789 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.95 152.86 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.273 -0.892 . . . . 0.0 109.426 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.19 157.82 15.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.142 -0.974 . . . . 0.0 109.505 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 106.63 -126.91 8.66 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 19.9 ttt180 179.41 -49.15 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.222 -1.164 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.24 -55.6 10.05 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 0.0 109.433 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -38.37 56.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.167 -0.958 . . . . 0.0 109.219 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.568 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 62.0 t80 -58.97 -48.59 80.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.27 -0.894 . . . . 0.0 109.323 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 11.8 mt-10 -61.82 -33.14 73.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -0.935 . . . . 0.0 109.172 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.492 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.1 mtp -57.17 -55.32 36.29 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.362 -0.836 . . . . 0.0 109.001 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 22.1 m-85 -59.92 -34.25 72.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.368 -0.833 . . . . 0.0 108.915 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.494 ' HA ' ' ND2' ' D' ' 345' ' ' ASN . 3.3 ttt180 -53.26 -32.84 50.48 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.334 -0.854 . . . . 0.0 109.303 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.0 tp10 -76.62 -53.63 7.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.341 -0.849 . . . . 0.0 110.073 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.519 ' HB2' ' CE1' ' C' ' 341' ' ' PHE . 1.5 mm? -51.46 -59.39 4.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.94 -1.1 . . . . 0.0 109.137 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.494 ' ND2' ' HA ' ' D' ' 342' ' ' ARG . 0.8 OUTLIER -59.52 -22.49 61.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.086 -1.009 . . . . 0.0 109.301 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' D' ' 343' ' ' GLU . 2.1 mt-10 -67.23 -43.92 80.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.305 -0.872 . . . . 0.0 109.35 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.477 ' HA ' HD21 ' D' ' 350' ' ' LEU . . . -71.81 -48.38 46.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.212 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' D' ' 348' ' ' LEU . 84.6 mt -50.18 -46.75 54.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.922 . . . . 0.0 109.05 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.37 -36.22 81.58 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.543 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -65.03 -24.32 67.45 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 3.8 ttpp -68.0 -41.66 81.92 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -37.5 87.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.422 -0.799 . . . . 0.0 109.274 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.35 -5.52 49.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.376 -0.827 . . . . 0.0 109.579 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.508 ' HG3' HD13 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -81.69 -84.48 0.11 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 109.42 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.559 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.3 175.28 9.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -1.132 . . . . 0.0 109.431 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.577 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 5.4 m-85 -99.79 109.16 21.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.291 -0.881 . . . . 0.0 109.127 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.58 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 33.9 m-85 -108.8 162.76 13.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -0.933 . . . . 0.0 109.11 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.507 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.3 OUTLIER -124.83 138.01 54.28 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.185 -0.947 . . . . 0.0 109.967 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.0 OUTLIER -117.94 95.66 5.01 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.244 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.5 mt-30 -88.93 114.22 25.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.179 -0.951 . . . . 0.0 109.104 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 2.6 mp -110.76 128.35 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.402 -0.811 . . . . 0.0 109.535 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.569 ' HG2' ' CZ ' ' B' ' 327' ' ' TYR . 8.5 mtp180 -90.61 97.42 11.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.422 -0.799 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.06 -137.11 4.41 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.27 -51.03 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.261 -1.141 . . . . 0.0 109.298 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.17 -51.68 29.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.151 -0.968 . . . . 0.0 109.289 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.455 ' HD3' HD23 ' B' ' 348' ' ' LEU . 5.8 mtm180 -60.29 -36.63 78.29 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.222 -0.924 . . . . 0.0 108.817 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 88.5 t80 -63.27 -40.96 98.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.334 -0.854 . . . . 0.0 108.836 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.59 -34.25 77.41 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 108.78 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.478 ' O ' ' CD2' ' A' ' 344' ' ' LEU . 15.2 mtp -55.98 -56.57 19.09 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.869 0.843 . . . . 0.0 109.203 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 8.7 m-85 -59.86 -34.16 72.76 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.882 0.848 . . . . 0.0 109.211 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 0.0 OUTLIER -55.96 -39.99 72.56 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.488 0.661 . . . . 0.0 109.272 179.76 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.455 ' HB3' ' HE2' ' C' ' 340' ' ' MET . 0.4 OUTLIER -71.15 -47.64 56.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.364 -0.835 . . . . 0.0 109.772 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.55 ' HB3' ' CD1' ' D' ' 344' ' ' LEU . 1.7 mm? -54.43 -60.64 3.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.94 . . . . 0.0 109.679 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.47 ' HA ' HD13 ' A' ' 348' ' ' LEU . 2.0 p30 -62.4 -19.93 63.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.164 -0.96 . . . . 0.0 109.771 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 7.2 tt0 -68.55 -47.91 65.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.128 -0.983 . . . . 0.0 109.639 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.468 ' HA ' HD21 ' A' ' 350' ' ' LEU . . . -69.37 -44.46 71.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.116 -0.99 . . . . 0.0 109.716 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.532 ' CD2' ' HB1' ' D' ' 347' ' ' ALA . 25.5 mt -54.19 -49.15 70.02 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.51 -31.06 69.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.562 HD11 ' NE2' ' D' ' 354' ' ' GLN . 0.1 OUTLIER -69.11 -30.22 68.46 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.532 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 3.9 ttmt -58.37 -43.58 88.48 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.76 -23.81 60.87 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.812 -0.555 . . . . 0.0 109.526 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -88.32 -5.34 58.38 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.297 -0.877 . . . . 0.0 110.17 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.53 ' CG ' HD12 ' D' ' 350' ' ' LEU . 10.2 mt-30 -48.47 160.95 0.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.716 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.547 179.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.7 175.39 9.37 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -1.122 . . . . 0.0 109.551 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.569 ' CZ ' ' HG2' ' A' ' 333' ' ' ARG . 5.2 m-85 -100.06 106.92 18.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 33.7 m-85 -107.55 161.33 14.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.122 -0.986 . . . . 0.0 109.458 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.507 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -122.39 144.65 48.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.19 -0.944 . . . . 0.0 109.634 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.0 OUTLIER -124.39 87.03 2.65 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.335 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 3.0 mt-30 -80.82 115.2 20.19 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 110.073 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.59 128.07 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.383 -0.823 . . . . 0.0 109.09 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 8.6 mtp180 -90.6 96.98 10.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 109.434 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.58 -137.0 4.34 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.29 -51.15 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -1.157 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.96 -51.05 35.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.86 . . . . 0.0 109.332 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' B' ' 340' ' ' MET . 6.2 mtm180 -61.15 -36.9 81.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.196 -0.94 . . . . 0.0 108.967 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 88.7 t80 -62.75 -41.4 99.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 0.0 108.947 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 2.0 mt-10 -63.28 -35.16 79.44 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.28 -0.887 . . . . 0.0 108.646 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.464 ' O ' ' CD2' ' B' ' 344' ' ' LEU . 17.1 mtp -55.95 -57.34 12.51 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 12.8 m-85 -59.49 -31.09 69.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.452 -0.78 . . . . 0.0 109.004 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.0 OUTLIER -59.39 -38.18 79.87 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.31 -0.869 . . . . 0.0 109.5 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.459 ' HB3' ' HE2' ' D' ' 340' ' ' MET . 0.4 OUTLIER -72.21 -47.57 49.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.356 -0.84 . . . . 0.0 109.719 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.531 ' HB3' ' CD1' ' C' ' 344' ' ' LEU . 1.7 mm? -54.4 -61.24 2.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.16 -0.963 . . . . 0.0 109.451 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' B' ' 345' ' ' ASN . 1.5 p30 -61.37 -19.6 62.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 109.8 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 7.5 tt0 -70.15 -48.24 58.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 0.0 109.537 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.487 ' HB1' ' CD2' ' C' ' 348' ' ' LEU . . . -68.21 -45.52 73.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.202 -0.936 . . . . 0.0 109.434 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.523 ' CD2' ' HB1' ' C' ' 347' ' ' ALA . 25.7 mt -53.58 -49.82 66.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 108.831 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.62 -34.08 70.76 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.543 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.2 OUTLIER -65.11 -32.55 74.31 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.365 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.535 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 3.9 ttmt -56.86 -42.08 79.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -74.87 -21.74 59.07 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.431 -0.793 . . . . 0.0 109.373 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.6 -5.1 57.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 109.728 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.522 ' CG ' HD12 ' C' ' 350' ' ' LEU . 10.4 mt-30 -48.99 160.79 0.17 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.154 -0.966 . . . . 0.0 109.633 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.483 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.61 175.22 9.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -1.106 . . . . 0.0 109.573 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.561 ' CZ ' ' HG2' ' D' ' 333' ' ' ARG . 5.3 m-85 -99.69 107.09 19.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -0.879 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.556 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 33.6 m-85 -107.28 162.34 13.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 109.444 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.455 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.3 OUTLIER -124.13 140.93 52.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.162 -0.961 . . . . 0.0 109.922 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' D' ' 330' ' ' LEU . 0.0 OUTLIER -121.22 87.59 2.78 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.337 -0.852 . . . . 0.0 108.74 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.1 mt-30 -81.09 115.77 20.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.252 -0.905 . . . . 0.0 109.97 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -112.23 128.71 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 0.0 109.257 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.572 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 8.6 mtp180 -90.93 97.23 11.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.543 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.01 -137.04 4.38 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.02 -51.33 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.312 -1.111 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.72 -51.41 34.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.178 -0.951 . . . . 0.0 109.246 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' C' ' 340' ' ' MET . 6.1 mtm180 -60.9 -36.6 79.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.193 -0.942 . . . . 0.0 108.865 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 88.5 t80 -62.89 -42.07 99.65 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.354 -0.841 . . . . 0.0 108.913 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 2.0 mt-10 -62.63 -35.07 78.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.263 -0.898 . . . . 0.0 108.651 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.482 ' HE1' HD23 ' A' ' 344' ' ' LEU . 17.9 mtp -56.07 -56.88 15.49 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.553 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 12.8 m-85 -59.79 -31.28 69.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.0 OUTLIER -59.19 -38.09 79.01 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.341 -0.85 . . . . 0.0 109.466 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -47.17 51.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.233 -0.917 . . . . 0.0 109.694 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.531 ' CD1' ' HB3' ' B' ' 344' ' ' LEU . 1.7 mm? -54.7 -61.26 2.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.057 -1.027 . . . . 0.0 109.494 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.445 ' OD1' ' C ' ' C' ' 345' ' ' ASN . 1.9 p30 -62.07 -18.9 62.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -0.97 . . . . 0.0 109.859 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 7.7 tt0 -70.51 -48.0 57.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.071 -1.018 . . . . 0.0 109.334 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.523 ' HB1' ' CD2' ' B' ' 348' ' ' LEU . . . -68.43 -44.88 73.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.487 ' CD2' ' HB1' ' B' ' 347' ' ' ALA . 26.5 mt -54.34 -50.05 68.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 108.914 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.26 -33.91 69.92 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.294 -0.879 . . . . 0.0 108.759 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.535 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.2 OUTLIER -65.16 -32.91 74.83 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.407 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.543 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 3.9 ttmt -56.37 -42.06 77.2 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -75.04 -21.44 59.04 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.796 . . . . 0.0 109.391 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.9 -4.87 57.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.697 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.535 ' CG ' HD12 ' B' ' 350' ' ' LEU . 10.5 mt-30 -49.19 160.77 0.2 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.0 109.608 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.456 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.56 175.46 9.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.204 -1.174 . . . . 0.0 109.612 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.572 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 5.4 m-85 -100.05 106.9 18.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 109.297 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.562 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 33.3 m-85 -107.1 162.27 14.01 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.159 -0.963 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.455 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.3 OUTLIER -124.07 140.93 52.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.185 -0.947 . . . . 0.0 109.904 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' C' ' 330' ' ' LEU . 0.0 OUTLIER -121.1 87.66 2.79 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.404 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.2 mt-30 -81.13 115.71 20.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.358 -0.839 . . . . 0.0 109.908 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -112.09 128.38 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.409 -0.807 . . . . 0.0 109.255 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.561 ' HG2' ' CZ ' ' C' ' 327' ' ' TYR . 8.6 mtp180 -90.74 97.48 11.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.272 -0.892 . . . . 0.0 109.63 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.83 -137.19 4.47 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.77 -51.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -1.113 . . . . 0.0 109.308 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.53 -51.5 35.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.244 -0.91 . . . . 0.0 109.289 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' D' ' 340' ' ' MET . 6.1 mtm180 -60.84 -36.65 79.65 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.116 -0.99 . . . . 0.0 108.866 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 88.1 t80 -62.98 -41.79 99.66 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.365 -0.835 . . . . 0.0 108.902 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.79 -35.21 79.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.303 -0.873 . . . . 0.0 108.652 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.459 ' HE2' ' HB3' ' B' ' 343' ' ' GLU . 17.7 mtp -55.91 -57.32 12.56 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.553 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 13.1 m-85 -59.44 -31.09 68.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.489 -0.757 . . . . 0.0 109.003 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.0 OUTLIER -59.36 -37.99 79.28 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.34 -0.85 . . . . 0.0 109.427 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.457 ' HB3' ' HE2' ' B' ' 340' ' ' MET . 0.4 OUTLIER -72.39 -47.64 47.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.332 -0.855 . . . . 0.0 109.625 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.55 ' CD1' ' HB3' ' A' ' 344' ' ' LEU . 1.4 mm? -54.24 -61.49 2.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.0 109.514 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.448 ' HA ' HD13 ' D' ' 348' ' ' LEU . 1.8 p30 -61.72 -18.79 61.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.159 -0.963 . . . . 0.0 110.002 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 7.6 tt0 -70.35 -48.19 57.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.081 -1.012 . . . . 0.0 109.357 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.532 ' HB1' ' CD2' ' A' ' 348' ' ' LEU . . . -67.99 -45.92 72.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.264 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' D' ' 345' ' ' ASN . 26.9 mt -53.39 -50.07 65.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 108.952 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.56 -33.93 70.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 108.649 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.537 ' CD1' HD13 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -65.15 -32.74 74.59 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.31 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 3.9 ttmt -56.37 -42.32 77.64 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -74.89 -21.56 59.16 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.615 -0.678 . . . . 0.0 109.359 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.89 -4.76 57.37 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.348 -0.845 . . . . 0.0 109.771 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.562 ' NE2' HD11 ' A' ' 350' ' ' LEU . 12.7 mt-30 -49.7 160.83 0.26 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.103 -0.998 . . . . 0.0 109.715 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.436 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -118.36 -176.31 3.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -1.139 . . . . 0.0 109.352 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.33 109.85 20.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.264 -0.898 . . . . 0.0 109.363 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -106.01 142.54 35.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.901 . . . . 0.0 109.377 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.47 HG23 HG23 ' B' ' 329' ' ' THR . 0.3 OUTLIER -99.86 132.32 45.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -0.943 . . . . 0.0 109.589 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -112.43 94.61 5.01 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.453 ' HG2' HG22 ' B' ' 329' ' ' THR . 37.7 mt-30 -88.43 122.19 31.64 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.161 -0.962 . . . . 0.0 108.935 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.4 125.39 70.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.325 -0.859 . . . . 0.0 109.602 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 39.5 ttt-85 -85.74 100.04 11.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 109.148 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.39 -132.06 2.23 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -179.07 -49.82 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -1.12 . . . . 0.0 108.86 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.25 -44.15 63.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.48 ' HD2' HD11 ' B' ' 348' ' ' LEU . 17.0 mtm180 -67.16 -38.32 85.28 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.542 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 83.1 t80 -65.95 -32.68 74.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 0.0 108.804 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.23 -40.04 78.18 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.29 -0.881 . . . . 0.0 108.696 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.523 ' CE ' HD23 ' C' ' 344' ' ' LEU . 6.8 mtm -59.41 -51.59 69.24 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.784 0.802 . . . . 0.0 109.323 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.576 ' CE1' HD13 ' C' ' 344' ' ' LEU . 5.5 m-85 -62.86 -32.48 73.72 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 121.738 0.78 . . . . 0.0 109.218 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.421 ' HG3' ' CE2' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -65.35 -30.07 70.86 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.36 -50.94 10.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.189 -0.945 . . . . 0.0 109.361 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.583 HD13 ' CE1' ' C' ' 341' ' ' PHE . 1.0 OUTLIER -55.39 -38.44 68.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.161 -0.962 . . . . 0.0 108.722 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.538 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 3.3 m-20 -76.54 -24.24 53.62 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.489 -0.757 . . . . 0.0 109.291 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -70.27 -38.05 75.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.202 -0.936 . . . . 0.0 109.285 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.468 ' HA ' HD21 ' A' ' 350' ' ' LEU . . . -72.21 -44.63 62.65 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.121 -0.987 . . . . 0.0 109.323 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.47 HD11 ' HD2' ' B' ' 337' ' ' ARG . 29.8 mt -56.96 -49.59 75.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 108.586 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.49 -29.78 66.51 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.554 HD11 ' NE2' ' D' ' 354' ' ' GLN . 0.1 OUTLIER -71.1 -31.29 67.59 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.467 ' HA ' ' HG3' ' A' ' 354' ' ' GLN . 10.7 ttmt -57.88 -39.49 77.96 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -76.78 -25.76 53.73 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.381 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 354' ' ' GLN . . . -85.83 -7.64 58.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.179 -0.95 . . . . 0.0 109.976 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.491 ' CG ' HD12 ' D' ' 350' ' ' LEU . 17.9 mt-30 -42.61 102.75 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.836 . . . . 0.0 109.706 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.475 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.73 -175.86 2.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -1.133 . . . . 0.0 109.41 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.24 109.31 18.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.31 -0.869 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -105.9 142.34 35.77 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.206 -0.934 . . . . 0.0 109.639 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.47 HG23 HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -98.47 139.25 34.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 0.0 109.218 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.542 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.8 OUTLIER -119.35 83.46 2.04 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.427 ' HG2' HG22 ' A' ' 329' ' ' THR . 36.7 mt-30 -78.35 123.3 26.83 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.282 -0.887 . . . . 0.0 109.91 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.29 125.72 69.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.32 -0.862 . . . . 0.0 108.899 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -86.4 99.71 11.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.161 -0.962 . . . . 0.0 109.186 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.15 -131.32 2.06 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -179.2 -50.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.42 -1.047 . . . . 0.0 108.926 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.5 -43.59 66.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.376 -0.828 . . . . 0.0 108.83 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.47 ' HD2' HD11 ' A' ' 348' ' ' LEU . 18.0 mtm180 -67.86 -39.02 83.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.281 -0.887 . . . . 0.0 108.695 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 83.6 t80 -65.38 -32.48 74.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 108.795 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.21 -41.28 77.29 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.481 ' O ' HD21 ' B' ' 344' ' ' LEU . 9.0 mtm -59.79 -51.69 68.68 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.41 -0.806 . . . . 0.0 108.906 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.578 ' CE1' HD13 ' D' ' 344' ' ' LEU . 4.6 m-85 -62.94 -29.15 70.58 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.42 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -68.55 -29.85 68.51 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.01 -50.43 12.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.45 -0.781 . . . . 0.0 109.344 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' D' ' 341' ' ' PHE . 1.1 mm? -56.34 -36.63 68.98 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.134 -0.979 . . . . 0.0 108.499 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.496 ' ND2' ' CE2' ' A' ' 341' ' ' PHE . 3.7 m-20 -78.36 -23.63 46.8 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.429 -0.794 . . . . 0.0 109.262 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -70.82 -37.81 73.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.292 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.457 ' HA ' HD21 ' B' ' 350' ' ' LEU . . . -72.12 -44.02 63.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.832 . . . . 0.0 109.202 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.48 HD11 ' HD2' ' A' ' 337' ' ' ARG . 29.1 mt -58.34 -49.57 76.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.128 -0.983 . . . . 0.0 108.829 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.43 -31.87 68.15 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.534 HD12 ' CG ' ' C' ' 354' ' ' GLN . 0.1 OUTLIER -67.8 -33.19 74.33 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.344 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.461 ' HA ' HD23 ' C' ' 350' ' ' LEU . 10.7 ttmt -56.7 -37.87 71.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.429 -0.795 . . . . 0.0 108.949 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -79.12 -24.04 43.66 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.41 -0.806 . . . . 0.0 109.203 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' B' ' 354' ' ' GLN . . . -86.93 -7.07 58.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.899 . . . . 0.0 109.511 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.528 ' CG ' HD12 ' C' ' 350' ' ' LEU . 22.7 mt-30 -43.68 103.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.92 . . . . 0.0 109.644 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.494 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.88 -175.89 2.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -1.15 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.14 109.32 18.96 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -0.883 . . . . 0.0 109.333 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -105.64 142.86 34.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.532 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.46 HG23 HG23 ' D' ' 329' ' ' THR . 0.2 OUTLIER -99.67 134.45 42.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 0.0 109.697 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.543 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -114.78 86.27 2.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.305 -0.872 . . . . 0.0 108.907 179.569 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.445 ' HG2' HG22 ' D' ' 329' ' ' THR . 35.7 mt-30 -80.55 122.97 27.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.385 -0.822 . . . . 0.0 109.776 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -125.48 125.31 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.417 -0.802 . . . . 0.0 109.275 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -85.63 100.04 11.69 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.163 -0.961 . . . . 0.0 109.425 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.49 -131.95 2.26 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -178.39 -50.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.372 -1.075 . . . . 0.0 108.968 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.43 -44.2 65.32 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.243 -0.911 . . . . 0.0 108.747 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.477 ' HD2' HD11 ' D' ' 348' ' ' LEU . 17.1 mtm180 -67.43 -38.67 84.93 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.534 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 83.4 t80 -65.55 -33.09 75.11 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.319 -0.863 . . . . 0.0 108.829 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.47 -40.89 80.83 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.276 -0.89 . . . . 0.0 108.673 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.459 ' O ' HD21 ' C' ' 344' ' ' LEU . 9.4 mtm -59.95 -51.51 69.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.806 . . . . 0.0 108.868 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 344' ' ' LEU . 4.6 m-85 -63.03 -28.96 70.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.46 -0.775 . . . . 0.0 109.079 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.416 ' HG3' ' CE2' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -68.82 -29.08 67.34 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.3 -0.875 . . . . 0.0 108.765 179.434 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.73 -50.51 11.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.438 -0.789 . . . . 0.0 109.206 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.576 HD13 ' CE1' ' A' ' 341' ' ' PHE . 1.0 OUTLIER -56.52 -36.71 69.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.18 -0.95 . . . . 0.0 108.582 179.562 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.553 ' ND2' ' CE2' ' D' ' 341' ' ' PHE . 3.4 m-20 -78.33 -23.22 47.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.501 -0.75 . . . . 0.0 109.242 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -72.08 -37.25 69.63 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.265 -0.897 . . . . 0.0 109.237 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.446 ' HA ' HD21 ' C' ' 350' ' ' LEU . . . -72.76 -41.05 65.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.259 -0.901 . . . . 0.0 109.156 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.447 HD11 ' HD2' ' D' ' 337' ' ' ARG . 28.5 mt -61.4 -48.79 79.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.982 . . . . 0.0 108.83 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.65 -31.5 68.21 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.528 HD12 ' CG ' ' B' ' 354' ' ' GLN . 0.1 OUTLIER -68.37 -32.41 72.48 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.472 ' HA ' HD23 ' B' ' 350' ' ' LEU . 10.7 ttmt -57.33 -37.24 72.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.435 -0.791 . . . . 0.0 108.968 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.53 -24.14 42.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.367 -0.833 . . . . 0.0 109.173 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' C' ' 354' ' ' GLN . . . -86.85 -7.08 58.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.297 -0.877 . . . . 0.0 109.528 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.534 ' CG ' HD12 ' B' ' 350' ' ' LEU . 22.5 mt-30 -43.54 103.19 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 0.0 109.68 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.399 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.75 -175.83 2.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -1.159 . . . . 0.0 109.424 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.29 109.28 18.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.319 -0.863 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -105.53 142.66 34.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.503 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.46 HG23 HG23 ' C' ' 329' ' ' THR . 0.2 OUTLIER -99.62 134.62 42.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.384 -0.823 . . . . 0.0 109.64 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.534 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.8 OUTLIER -114.86 86.1 2.38 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.259 -0.9 . . . . 0.0 108.949 179.57 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.453 ' HG2' HG22 ' C' ' 329' ' ' THR . 35.8 mt-30 -80.32 122.81 27.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 0.0 109.731 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -125.02 125.15 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.305 -0.872 . . . . 0.0 109.344 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -85.4 100.25 11.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.094 -1.004 . . . . 0.0 109.535 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.11 -132.2 2.35 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -177.93 -50.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.311 -1.111 . . . . 0.0 108.972 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.29 -44.35 65.38 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.329 -0.857 . . . . 0.0 108.789 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.447 ' HD2' HD11 ' C' ' 348' ' ' LEU . 16.9 mtm180 -67.08 -38.82 86.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.303 -0.873 . . . . 0.0 108.694 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.543 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 83.0 t80 -65.44 -33.33 75.7 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.25 -40.82 81.85 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.46 ' O ' HD21 ' D' ' 344' ' ' LEU . 9.3 mtm -60.23 -51.01 71.38 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.368 -0.833 . . . . 0.0 108.93 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' B' ' 344' ' ' LEU . 4.5 m-85 -63.55 -28.5 69.98 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.457 -0.777 . . . . 0.0 109.012 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.405 ' HG3' ' CE2' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -69.09 -29.28 67.34 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.364 -0.835 . . . . 0.0 108.761 179.434 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.47 -50.74 11.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.442 -0.786 . . . . 0.0 109.147 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.578 HD13 ' CE1' ' B' ' 341' ' ' PHE . 0.8 OUTLIER -56.3 -36.88 69.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 108.638 179.569 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.544 ' ND2' ' CE2' ' C' ' 341' ' ' PHE . 3.5 m-20 -78.26 -23.35 47.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.446 -0.784 . . . . 0.0 109.221 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -71.25 -37.75 71.94 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.912 . . . . 0.0 109.23 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.453 ' HA ' HD21 ' D' ' 350' ' ' LEU . . . -71.71 -43.97 64.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.284 -0.885 . . . . 0.0 109.103 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.477 HD11 ' HD2' ' C' ' 337' ' ' ARG . 29.7 mt -58.73 -49.53 77.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 108.865 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.44 -31.78 68.07 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.239 -0.913 . . . . 0.0 108.554 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.536 HD13 ' CD1' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -67.88 -33.07 74.02 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.455 ' HA ' HD23 ' A' ' 350' ' ' LEU . 10.6 ttmt -56.84 -37.81 71.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.312 -0.867 . . . . 0.0 108.949 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -79.12 -24.08 43.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 109.196 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -86.96 -6.85 58.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.247 -0.908 . . . . 0.0 109.533 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.554 ' NE2' HD11 ' A' ' 350' ' ' LEU . 28.2 mt-30 -44.22 103.85 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.0 109.678 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.419 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.35 -171.28 3.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.222 -1.164 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -100.56 121.79 42.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.352 -0.842 . . . . 0.0 109.539 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.54 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 81.0 m-85 -115.72 161.17 19.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 0.0 109.397 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.57 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -120.82 135.25 55.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.325 -0.86 . . . . 0.0 109.484 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.513 HD22 ' ND2' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -115.84 93.6 4.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.488 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 1.0 OUTLIER -89.79 116.52 27.95 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.236 -0.915 . . . . 0.0 109.126 -179.192 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 5.9 mt -120.07 142.22 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.485 -0.759 . . . . 0.0 109.565 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -92.14 131.39 37.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.495 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.64 -133.38 6.91 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -173.03 -64.67 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.223 -1.163 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.95 -51.67 55.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.317 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -57.21 -46.6 82.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.089 -1.007 . . . . 0.0 109.036 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 62.1 t80 -55.65 -29.17 58.81 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.234 -0.916 . . . . 0.0 109.249 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -72.19 -40.02 68.21 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.016 -1.053 . . . . 0.0 109.094 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.467 ' O ' HD21 ' A' ' 344' ' ' LEU . 9.2 mtm -62.59 -42.58 99.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.0 109.683 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' B' ' 344' ' ' LEU . 6.3 m-85 -70.42 -34.52 72.6 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.655 0.74 . . . . 0.0 109.499 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 44.2 ttt180 -60.25 -41.69 93.75 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -39.19 61.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.872 . . . . 0.0 109.76 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.566 ' HB3' ' CZ ' ' B' ' 341' ' ' PHE . 0.5 OUTLIER -56.13 -57.52 11.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.153 -0.967 . . . . 0.0 109.159 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.513 ' ND2' HD22 ' B' ' 330' ' ' LEU . 4.6 p30 -66.88 -22.38 65.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 109.979 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 9.1 tt0 -64.88 -41.7 95.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.069 -1.019 . . . . 0.0 109.515 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.471 ' HA ' HD22 ' A' ' 350' ' ' LEU . . . -72.75 -48.51 37.83 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.298 -0.876 . . . . 0.0 109.872 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.52 ' CD2' ' HB1' ' D' ' 347' ' ' ALA . 60.7 mt -51.26 -50.91 58.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.094 -1.004 . . . . 0.0 108.776 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.93 -31.36 70.89 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.215 -0.928 . . . . 0.0 108.555 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.555 HD23 ' CA ' ' D' ' 351' ' ' LYS . 0.2 OUTLIER -65.08 -30.07 70.99 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 120.97 -1.081 . . . . 0.0 108.262 179.285 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.521 ' CA ' HD23 ' D' ' 350' ' ' LEU . 17.6 tttt -62.18 -46.42 89.02 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.06 -31.21 68.66 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.932 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -93.46 30.26 1.77 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.236 -0.915 . . . . 0.0 109.883 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.498 ' HG3' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -109.36 80.38 1.31 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.146 -0.971 . . . . 0.0 109.521 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.046 -1.034 . . . . 0.0 109.491 -179.816 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.48 -170.8 3.65 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.183 -1.187 . . . . 0.0 109.519 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -101.11 122.11 43.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.243 -0.91 . . . . 0.0 109.428 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.52 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 80.5 m-85 -117.05 159.57 22.34 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.21 -0.932 . . . . 0.0 109.68 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.57 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.52 143.88 45.63 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.0 109.184 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.513 HD22 ' ND2' ' A' ' 345' ' ' ASN . 0.2 OUTLIER -124.35 82.14 2.01 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.626 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -79.36 118.51 21.33 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.425 -0.797 . . . . 0.0 110.123 -179.089 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 6.1 mt -121.82 141.1 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.437 -0.789 . . . . 0.0 109.158 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -91.39 131.51 36.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.219 -0.926 . . . . 0.0 109.431 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.85 -133.56 6.97 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -173.17 -64.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.201 -1.176 . . . . 0.0 109.423 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -51.64 -51.14 58.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.92 . . . . 0.0 109.365 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -57.51 -48.09 80.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.54 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 61.6 t80 -54.44 -28.8 46.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.173 -0.954 . . . . 0.0 109.285 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -72.48 -41.2 66.27 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.228 -0.92 . . . . 0.0 109.092 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.467 ' O ' HD21 ' B' ' 344' ' ' LEU . 11.4 mtm -62.94 -42.72 99.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.327 -0.858 . . . . 0.0 109.104 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 344' ' ' LEU . 5.2 m-85 -70.33 -31.46 68.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.392 -0.818 . . . . 0.0 109.214 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 46.3 ttt180 -63.43 -40.45 97.2 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.248 -0.908 . . . . 0.0 109.173 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -38.27 58.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.377 -0.827 . . . . 0.0 109.666 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 341' ' ' PHE . 0.5 OUTLIER -57.56 -54.97 40.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.139 -0.976 . . . . 0.0 109.135 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.513 ' ND2' HD22 ' A' ' 330' ' ' LEU . 4.1 p30 -68.99 -22.65 64.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 109.81 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 8.9 tt0 -64.99 -42.65 94.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.109 -0.994 . . . . 0.0 109.499 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.463 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . . . -70.99 -50.11 37.87 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.324 -0.86 . . . . 0.0 109.622 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.506 ' CD2' ' HB1' ' C' ' 347' ' ' ALA . 67.0 mt -50.17 -51.71 41.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.103 -0.998 . . . . 0.0 109.198 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.61 -33.27 72.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.284 -0.885 . . . . 0.0 108.618 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.54 HD23 ' CA ' ' C' ' 351' ' ' LYS . 0.2 OUTLIER -62.44 -31.66 72.4 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.535 ' CA ' HD23 ' C' ' 350' ' ' LEU . 17.9 tttt -60.92 -46.09 92.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.477 -0.764 . . . . 0.0 108.968 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -27.91 67.5 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.412 -0.805 . . . . 0.0 109.099 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -95.74 29.04 2.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.304 -0.873 . . . . 0.0 109.401 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.49 ' OE1' ' HG2' ' C' ' 354' ' ' GLN . 0.0 OUTLIER -109.19 82.34 1.58 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.43 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.47 -170.56 3.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.149 -1.206 . . . . 0.0 109.405 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -101.45 121.93 42.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 0.0 109.38 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.537 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 79.8 m-85 -115.93 160.8 19.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.199 -0.938 . . . . 0.0 109.511 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.523 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -120.09 138.09 53.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.247 -0.908 . . . . 0.0 109.465 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.521 HD22 ' ND2' ' D' ' 345' ' ' ASN . 0.2 OUTLIER -118.61 84.87 2.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.345 -0.847 . . . . 0.0 108.939 179.796 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -81.64 118.4 22.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.267 -0.895 . . . . 0.0 109.973 -179.441 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 6.1 mt -121.8 141.92 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.363 -0.836 . . . . 0.0 109.137 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -92.01 131.0 37.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.226 -0.921 . . . . 0.0 109.662 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.86 -133.81 7.11 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.69 -64.55 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -1.189 . . . . 0.0 109.388 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.54 -51.0 58.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.448 ' HD3' ' HB3' ' D' ' 348' ' ' LEU . 1.5 mtm180 -57.9 -47.36 83.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.244 -0.91 . . . . 0.0 109.175 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 62.3 t80 -55.04 -29.29 57.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.278 -0.889 . . . . 0.0 109.327 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -71.72 -41.45 68.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.197 -0.939 . . . . 0.0 109.181 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.448 ' O ' HD21 ' C' ' 344' ' ' LEU . 11.2 mtm -62.72 -42.3 99.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 0.0 109.156 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' D' ' 345' ' ' ASN . 5.2 m-85 -70.58 -31.91 69.09 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.366 -0.834 . . . . 0.0 109.21 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 46.1 ttt180 -62.75 -40.61 97.79 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.302 -0.874 . . . . 0.0 109.156 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.83 -38.07 58.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.357 -0.839 . . . . 0.0 109.768 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.566 ' HB3' ' CZ ' ' D' ' 341' ' ' PHE . 0.4 OUTLIER -57.57 -54.63 44.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.181 -0.949 . . . . 0.0 109.154 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.566 ' HB3' ' CE2' ' D' ' 341' ' ' PHE . 5.0 p30 -69.58 -22.42 63.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.879 . . . . 0.0 109.853 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 9.0 tt0 -65.04 -42.11 94.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.933 -1.104 . . . . 0.0 109.357 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' B' ' 348' ' ' LEU . . . -71.5 -49.61 39.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.297 -0.877 . . . . 0.0 109.567 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.434 HD13 HD12 ' B' ' 344' ' ' LEU . 66.5 mt -50.8 -51.33 51.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.112 -0.992 . . . . 0.0 109.152 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.75 -33.11 72.43 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.535 HD23 ' CA ' ' B' ' 351' ' ' LYS . 0.2 OUTLIER -62.84 -31.07 72.01 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.301 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.54 ' CA ' HD23 ' B' ' 350' ' ' LEU . 17.9 tttt -61.09 -46.31 91.15 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -27.98 67.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.12 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -95.75 29.46 2.66 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.455 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.527 ' NE2' HD11 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -109.7 82.18 1.55 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.289 -0.882 . . . . 0.0 109.473 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.441 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 -170.77 3.62 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.265 -1.138 . . . . 0.0 109.502 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -101.39 122.08 43.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -0.924 . . . . 0.0 109.377 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.542 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 79.4 m-85 -116.09 160.83 19.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 0.0 109.499 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.523 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -120.14 138.1 53.78 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.224 -0.923 . . . . 0.0 109.556 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.526 HD22 ' ND2' ' C' ' 345' ' ' ASN . 0.2 OUTLIER -118.59 84.68 2.22 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.334 -0.854 . . . . 0.0 108.982 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -81.45 118.37 22.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.316 -0.865 . . . . 0.0 109.965 -179.427 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 6.0 mt -121.63 141.74 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.318 -0.864 . . . . 0.0 109.342 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -91.8 131.68 36.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.956 . . . . 0.0 109.675 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.33 -133.85 7.2 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.61 -64.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -1.132 . . . . 0.0 109.418 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -51.66 -51.12 58.37 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.24 -0.912 . . . . 0.0 109.279 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.423 ' HD3' ' HB3' ' C' ' 348' ' ' LEU . 1.5 mtm180 -57.56 -47.54 81.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.186 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 62.3 t80 -54.8 -29.34 54.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.336 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -71.79 -41.41 68.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.0 109.165 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.3 mtm -62.64 -42.59 99.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -0.884 . . . . 0.0 109.14 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' C' ' 344' ' ' LEU . 5.1 m-85 -70.33 -31.52 68.86 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.397 -0.814 . . . . 0.0 109.194 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 45.8 ttt180 -63.28 -40.37 97.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.348 -0.845 . . . . 0.0 109.193 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -38.18 58.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.457 -0.777 . . . . 0.0 109.767 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.574 ' HB3' ' CZ ' ' C' ' 341' ' ' PHE . 0.4 OUTLIER -57.52 -55.11 39.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 0.0 109.13 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.579 ' HB3' ' CE2' ' C' ' 341' ' ' PHE . 4.9 p30 -69.07 -22.26 64.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.264 -0.897 . . . . 0.0 109.992 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 8.9 tt0 -65.15 -41.85 94.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.025 -1.047 . . . . 0.0 109.359 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.52 ' HB1' ' CD2' ' A' ' 348' ' ' LEU . . . -71.54 -50.48 30.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.275 -0.891 . . . . 0.0 109.548 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.448 ' HB3' ' HD3' ' C' ' 337' ' ' ARG . 67.4 mt -49.88 -51.66 38.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 109.062 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -60.7 -33.38 72.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.342 -0.849 . . . . 0.0 108.725 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.537 ' CD1' HD13 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -62.41 -31.29 71.95 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.266 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.555 ' CA ' HD23 ' A' ' 350' ' ' LEU . 17.9 tttt -61.14 -45.95 92.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.578 -0.701 . . . . 0.0 109.111 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -27.25 67.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.398 -0.814 . . . . 0.0 109.133 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -96.37 29.14 2.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.289 -0.882 . . . . 0.0 109.545 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.537 ' NE2' HD11 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -110.02 82.38 1.58 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 0.0 109.384 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.413 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.29 -173.26 3.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.216 -1.167 . . . . 0.0 109.431 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.545 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 2.0 m-85 -100.82 122.39 43.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.929 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 62.2 m-85 -116.16 165.8 12.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.161 -0.962 . . . . 0.0 109.533 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.483 HG23 HG23 ' B' ' 329' ' ' THR . 0.2 OUTLIER -134.89 136.15 42.15 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.22 -0.925 . . . . 0.0 109.953 -179.222 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.575 ' CD2' ' ND2' ' B' ' 345' ' ' ASN . 0.0 OUTLIER -114.1 95.31 5.23 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -88.64 110.1 20.66 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.263 -0.898 . . . . 0.0 108.959 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.51 124.06 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.501 -0.749 . . . . 0.0 109.893 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.499 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 4.6 tmm_? -86.23 100.77 12.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 108.625 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.04 -131.05 2.1 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -175.8 -51.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -1.076 . . . . 0.0 109.005 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.25 -45.94 58.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.172 -0.955 . . . . 0.0 108.89 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.453 ' HD3' HD23 ' B' ' 348' ' ' LEU . 43.1 mtm-85 -61.86 -43.19 99.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.264 -0.898 . . . . 0.0 108.747 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.49 -37.74 79.02 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.274 -0.891 . . . . 0.0 108.776 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -44.65 96.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.248 -0.907 . . . . 0.0 108.826 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.512 ' HE1' HD23 ' C' ' 344' ' ' LEU . 10.8 mtp -51.98 -53.02 46.41 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.927 0.87 . . . . 0.0 109.588 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 345' ' ' ASN . 5.2 m-85 -62.31 -29.79 70.69 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.931 0.872 . . . . 0.0 109.199 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -62.94 -38.55 91.51 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.45 ' OE2' ' SD ' ' C' ' 340' ' ' MET . 1.1 tt0 -69.32 -48.21 62.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.184 -0.948 . . . . 0.0 109.17 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.484 ' HG ' ' HG ' ' D' ' 344' ' ' LEU . 1.2 mm? -60.72 -29.13 69.16 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.538 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.4 t-20 -80.59 -24.2 39.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.12 -42.16 66.37 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.46 -47.68 69.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 109.237 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.38 -43.92 88.67 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 345' ' ' ASN . 1.8 tt0 -64.0 -26.58 68.63 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.535 ' CD1' HD13 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -72.37 -25.82 61.66 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.088 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.516 ' HA ' ' HG3' ' A' ' 354' ' ' GLN . 27.9 tttt -66.89 -43.18 84.12 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -72.67 -22.26 60.95 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.266 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 355' ' ' ALA . . . -92.56 -9.74 40.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 109.91 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.516 ' HG3' ' HA ' ' A' ' 351' ' ' LYS . 11.0 mt-30 -45.31 98.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.384 -0.823 . . . . 0.0 109.669 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.571 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.25 -173.5 4.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -1.096 . . . . 0.0 109.362 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 2.0 m-85 -100.57 122.63 43.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 109.561 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -117.56 163.68 16.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.199 -0.938 . . . . 0.0 109.558 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.483 HG23 HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -131.86 144.26 50.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 109.651 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.0 OUTLIER -121.3 86.13 2.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 8.5 tt0 -79.21 111.74 15.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.912 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -111.96 123.74 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.517 -0.739 . . . . 0.0 109.389 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 4.5 tmm_? -86.59 98.88 11.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.372 -0.83 . . . . 0.0 109.071 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.31 -130.75 1.98 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -175.02 -51.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.288 -1.125 . . . . 0.0 109.115 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.05 -44.44 63.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.17 -0.956 . . . . 0.0 108.956 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -63.13 -44.38 95.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.223 -0.923 . . . . 0.0 108.966 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.28 -38.55 77.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.233 -0.917 . . . . 0.0 108.767 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' B' ' 342' ' ' ARG . 0.9 OUTLIER -61.17 -46.31 91.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 108.616 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.484 ' HE1' HD23 ' D' ' 344' ' ' LEU . 12.0 mtp -51.28 -54.25 27.75 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.498 -0.751 . . . . 0.0 108.979 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' B' ' 345' ' ' ASN . 3.9 m-85 -62.1 -26.13 68.11 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' B' ' 339' ' ' GLU . 9.7 mtp180 -66.12 -38.12 87.4 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.444 -0.785 . . . . 0.0 109.031 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.472 ' HG2' ' HE2' ' D' ' 340' ' ' MET . 1.1 tt0 -69.11 -47.86 64.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.827 . . . . 0.0 108.941 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.5 HD23 ' HE1' ' D' ' 340' ' ' MET . 1.1 mm? -61.66 -26.48 68.04 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.575 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.4 t-20 -83.8 -22.34 31.85 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.92 -41.53 61.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.466 -0.771 . . . . 0.0 109.017 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.81 -49.18 66.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.413 -0.804 . . . . 0.0 108.913 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.453 HD23 ' HD3' ' A' ' 337' ' ' ARG . 26.0 mt -58.04 -44.08 87.18 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' B' ' 345' ' ' ASN . 1.8 tt0 -63.84 -27.14 68.96 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.541 ' CD1' HD13 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -71.23 -27.28 63.36 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.193 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.488 ' HA ' ' HG3' ' B' ' 354' ' ' GLN . 28.1 tttt -65.94 -42.31 90.22 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -73.43 -21.83 60.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.372 -0.83 . . . . 0.0 109.166 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' B' ' 355' ' ' ALA . . . -93.1 -9.48 39.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.606 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.488 ' HG3' ' HA ' ' B' ' 351' ' ' LYS . 14.0 mt-30 -45.64 99.94 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.273 -0.892 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.571 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.47 -173.8 4.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.245 -1.15 . . . . 0.0 109.411 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.581 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 1.9 m-85 -100.51 122.44 43.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.143 -0.973 . . . . 0.0 109.485 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -116.09 166.37 12.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.971 . . . . 0.0 109.544 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.474 HG23 HG23 ' D' ' 329' ' ' THR . 0.2 OUTLIER -135.25 139.25 44.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.227 -0.921 . . . . 0.0 109.954 -179.541 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.589 ' CD2' ' ND2' ' D' ' 345' ' ' ASN . 0.0 OUTLIER -117.08 88.01 2.82 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -80.9 111.84 17.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.762 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.12 124.11 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.311 -0.868 . . . . 0.0 109.563 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.569 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 4.4 tmm_? -86.36 99.28 11.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.271 -0.893 . . . . 0.0 109.273 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.77 -131.46 2.17 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -174.42 -51.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -1.096 . . . . 0.0 109.057 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.49 -45.15 63.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.144 -0.972 . . . . 0.0 108.896 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -62.57 -43.79 97.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.261 -0.9 . . . . 0.0 108.878 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.71 -38.94 79.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.304 -0.872 . . . . 0.0 108.845 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' C' ' 342' ' ' ARG . 0.9 OUTLIER -60.63 -46.17 91.29 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.296 -0.877 . . . . 0.0 108.688 179.39 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.48 ' HE1' HD23 ' A' ' 344' ' ' LEU . 13.0 mtp -51.45 -53.74 33.98 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.348 -0.845 . . . . 0.0 108.969 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' C' ' 345' ' ' ASN . 4.0 m-85 -62.53 -25.91 68.28 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.422 -0.799 . . . . 0.0 109.008 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' C' ' 339' ' ' GLU . 10.2 mtp180 -66.34 -37.61 85.74 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.382 -0.823 . . . . 0.0 109.049 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.453 ' OE2' ' SD ' ' A' ' 340' ' ' MET . 1.1 tt0 -69.39 -47.75 63.28 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.876 . . . . 0.0 108.918 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.512 HD23 ' HE1' ' A' ' 340' ' ' MET . 1.2 mm? -61.87 -26.55 68.22 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.592 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.5 t-20 -84.09 -21.84 31.35 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.55 -41.45 60.55 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.406 ' HB1' HD22 ' B' ' 348' ' ' LEU . . . -67.22 -46.65 73.2 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.425 -0.797 . . . . 0.0 109.143 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 25.2 mt -60.56 -43.33 97.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.131 -0.981 . . . . 0.0 108.442 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' C' ' 345' ' ' ASN . 1.8 tt0 -64.12 -26.88 68.73 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.541 HD13 ' CD1' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.4 -26.86 62.94 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.303 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.506 ' CA ' HD23 ' B' ' 350' ' ' LEU . 27.9 tttt -66.22 -42.38 88.78 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -73.65 -21.1 60.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.427 -0.796 . . . . 0.0 109.144 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' C' ' 355' ' ' ALA . . . -93.58 -9.21 38.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.312 -0.867 . . . . 0.0 109.461 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.503 ' CG ' HD12 ' B' ' 350' ' ' LEU . 14.0 mt-30 -46.05 100.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 0.0 109.6 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' C' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.383 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.31 -173.52 4.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.345 -1.091 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.569 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 2.0 m-85 -100.91 122.41 43.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 0.0 109.473 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -116.07 165.98 12.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 0.0 109.498 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.474 HG23 HG23 ' C' ' 329' ' ' THR . 0.2 OUTLIER -134.85 139.49 45.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.169 -0.957 . . . . 0.0 109.942 -179.647 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.592 ' CD2' ' ND2' ' C' ' 345' ' ' ASN . 0.0 OUTLIER -116.94 88.16 2.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.351 -0.843 . . . . 0.0 108.754 179.448 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -81.08 112.07 18.11 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.26 -0.9 . . . . 0.0 109.725 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.18 123.83 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.334 -0.854 . . . . 0.0 109.48 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 4.4 tmm_? -86.47 99.48 11.69 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.3 -0.875 . . . . 0.0 109.339 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.46 -131.29 2.15 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -174.25 -52.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -1.127 . . . . 0.0 109.033 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.36 -44.84 64.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.186 -0.946 . . . . 0.0 108.888 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 40.5 mtm-85 -62.92 -43.89 97.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.225 -0.922 . . . . 0.0 108.82 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.57 -39.0 79.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.232 -0.918 . . . . 0.0 108.785 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' D' ' 342' ' ' ARG . 0.9 OUTLIER -60.71 -46.08 91.75 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.5 ' HE1' HD23 ' B' ' 344' ' ' LEU . 13.3 mtp -51.48 -53.95 32.11 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.375 -0.828 . . . . 0.0 108.995 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' D' ' 345' ' ' ASN . 3.9 m-85 -62.24 -25.88 68.06 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' D' ' 339' ' ' GLU . 10.2 mtp180 -66.31 -38.11 86.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.487 -0.758 . . . . 0.0 109.091 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.47 ' HG2' ' HE2' ' B' ' 340' ' ' MET . 1.1 tt0 -69.12 -47.84 64.06 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.323 -0.86 . . . . 0.0 108.974 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.484 HD23 ' HE1' ' B' ' 340' ' ' MET . 1.1 mm? -61.73 -26.6 68.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.589 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.5 t-20 -83.86 -21.88 31.86 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.09 -41.46 61.64 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.49 -49.43 66.6 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.362 -0.836 . . . . 0.0 109.037 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 25.7 mt -58.09 -43.85 87.28 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.12 -26.89 68.74 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.535 HD13 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -71.24 -27.31 63.37 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.181 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.528 ' CA ' HD23 ' A' ' 350' ' ' LEU . 28.8 tttt -66.2 -42.33 88.95 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -73.5 -21.65 60.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.405 -0.809 . . . . 0.0 109.048 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' D' ' 355' ' ' ALA . . . -93.07 -9.1 40.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 109.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.526 ' CG ' HD12 ' A' ' 350' ' ' LEU . 14.8 mt-30 -46.08 100.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.264 -0.897 . . . . 0.0 109.573 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' D' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.496 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 328' ' ' PHE . 2.7 tt0 -117.09 159.9 21.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.272 -1.134 . . . . 0.0 109.4 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -105.58 120.29 41.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.92 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.547 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 91.6 m-85 -115.81 142.13 47.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.558 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.539 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -104.7 126.25 51.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.378 -0.826 . . . . 0.0 109.303 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.58 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -107.44 93.91 4.8 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.69 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -88.64 109.07 19.81 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.09 -1.006 . . . . 0.0 108.68 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -112.55 140.19 33.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.415 -0.803 . . . . 0.0 109.575 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -94.15 138.63 31.97 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.31 -0.869 . . . . 0.0 109.206 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 134.08 -126.78 4.33 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 35.4 ttm180 177.48 -46.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.356 -1.085 . . . . 0.0 108.805 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.62 -55.41 6.32 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.388 -0.82 . . . . 0.0 108.972 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.434 ' HD3' HD21 ' B' ' 348' ' ' LEU . 1.5 ttm180 -53.59 -47.4 70.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.873 . . . . 0.0 109.108 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.56 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 85.3 t80 -57.0 -32.95 66.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 109.251 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -40.8 76.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 0.0 109.344 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.435 ' O ' ' CD2' ' A' ' 344' ' ' LEU . 14.2 mtm -53.83 -54.77 33.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.888 . . . . 0.0 109.56 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.581 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 15.3 m-85 -60.66 -38.97 86.64 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.848 0.832 . . . . 0.0 109.302 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.479 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 2.2 ttp180 -50.09 -38.33 38.07 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.26 -56.8 4.46 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.471 -0.768 . . . . 0.0 109.947 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.547 ' CD1' ' HB3' ' D' ' 344' ' ' LEU . 1.4 mm? -44.97 -59.43 2.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.106 -0.996 . . . . 0.0 109.898 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 348' ' ' LEU . 1.9 p30 -62.47 -27.27 69.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 110.15 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 1.2 tp10 -62.76 -44.78 95.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.032 -1.042 . . . . 0.0 109.77 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.454 ' HA ' HD21 ' A' ' 350' ' ' LEU . . . -72.38 -39.67 67.86 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.146 -0.972 . . . . 0.0 109.78 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' D' ' 347' ' ' ALA . 20.2 mt -54.75 -51.48 65.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 0.0 108.628 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -61.93 -29.67 70.38 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.563 ' CD1' ' NE2' ' D' ' 354' ' ' GLN . 0.1 OUTLIER -68.04 -27.75 66.79 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 120.897 -1.127 . . . . 0.0 107.998 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 2.2 ttpt -64.8 -45.43 86.27 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -58.23 -35.73 72.13 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 119.626 -0.83 . . . . 0.0 108.77 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.47 49.62 1.51 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 109.397 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.527 ' HG3' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -129.15 138.03 51.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.394 -0.816 . . . . 0.0 109.294 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.063 -1.023 . . . . 0.0 109.42 -179.903 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' B' ' 328' ' ' PHE . 2.8 tt0 -117.09 160.05 21.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.263 -1.139 . . . . 0.0 109.6 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -105.72 120.81 42.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.289 -0.882 . . . . 0.0 109.221 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 338' ' ' PHE . 90.4 m-85 -116.64 141.96 47.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -0.923 . . . . 0.0 109.807 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.539 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -103.17 133.65 47.91 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.0 108.988 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.56 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 1.0 OUTLIER -114.79 82.35 1.71 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.283 -0.885 . . . . 0.0 108.734 179.738 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -78.65 108.28 11.95 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.287 -0.883 . . . . 0.0 109.794 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -111.84 140.36 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.326 -0.859 . . . . 0.0 109.172 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -94.42 138.22 32.63 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.298 -0.876 . . . . 0.0 109.295 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 133.93 -126.26 4.19 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 35.8 ttm180 177.65 -46.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.394 -1.062 . . . . 0.0 109.023 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.38 -54.83 7.37 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.326 -0.859 . . . . 0.0 109.076 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -53.93 -48.59 70.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.869 . . . . 0.0 109.22 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.58 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 84.3 t80 -55.87 -32.32 63.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.237 -0.915 . . . . 0.0 109.443 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -42.12 71.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.242 -0.911 . . . . 0.0 109.133 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.5 mtm -53.81 -56.26 19.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 108.842 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.581 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 19.3 m-85 -58.73 -39.05 79.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.34 -0.85 . . . . 0.0 108.963 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.3 ttp180 -50.43 -36.9 35.27 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.509 -0.744 . . . . 0.0 109.448 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' B' ' 344' ' ' LEU . 5.2 tp10 -75.53 -56.41 4.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.42 -0.8 . . . . 0.0 109.96 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' C' ' 344' ' ' LEU . 1.4 mm? -45.47 -59.2 2.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.196 -0.94 . . . . 0.0 109.651 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.46 ' HA ' ' CD1' ' B' ' 348' ' ' LEU . 1.6 p30 -61.79 -27.55 68.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.955 . . . . 0.0 109.938 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 1.2 tp10 -63.69 -43.58 96.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.108 -0.995 . . . . 0.0 109.923 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.445 ' HB3' HD22 ' C' ' 348' ' ' LEU . . . -73.7 -38.8 64.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.043 -1.036 . . . . 0.0 109.508 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 344' ' ' LEU . 20.5 mt -55.41 -52.26 64.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.222 -0.924 . . . . 0.0 108.781 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -60.69 -33.94 73.62 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.561 ' CD1' ' NE2' ' C' ' 354' ' ' GLN . 0.1 OUTLIER -62.39 -31.24 71.88 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 179.369 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.546 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 2.2 ttpt -62.74 -46.0 90.08 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.393 -0.817 . . . . 0.0 108.93 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -57.84 -34.25 69.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.414 -0.804 . . . . 0.0 108.979 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.77 48.02 1.33 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.352 -0.843 . . . . 0.0 109.45 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.527 ' NE2' ' CD1' ' C' ' 350' ' ' LEU . 0.0 OUTLIER -128.52 139.78 52.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.371 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.923 -1.036 . . . . 0.0 109.499 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' C' ' 328' ' ' PHE . 2.8 tt0 -117.52 160.22 21.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -1.19 . . . . 0.0 109.52 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -105.97 120.43 41.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.32 -0.862 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.58 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 89.4 m-85 -115.66 142.48 46.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 0.0 109.589 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.75 128.78 52.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 109.363 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.573 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 1.0 OUTLIER -109.98 85.57 2.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 0.0 109.262 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -81.47 108.02 14.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.232 -0.917 . . . . 0.0 109.697 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.73 140.97 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.389 -0.82 . . . . 0.0 109.253 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.413 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 20.3 ttp180 -94.9 138.34 32.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.157 -0.964 . . . . 0.0 109.523 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 133.45 -126.85 4.47 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 35.6 ttm180 178.66 -45.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -1.143 . . . . 0.0 109.035 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.38 -55.1 6.83 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.359 -0.838 . . . . 0.0 109.066 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -53.88 -47.72 70.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.256 -0.902 . . . . 0.0 109.209 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' D' ' 328' ' ' PHE . 85.2 t80 -56.7 -32.86 65.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 109.41 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -41.97 74.52 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.961 . . . . 0.0 109.218 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.6 mtm -53.82 -55.67 24.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.215 -0.928 . . . . 0.0 108.95 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 19.7 m-85 -59.15 -39.24 81.81 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.312 -0.867 . . . . 0.0 108.871 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.0 ttp180 -49.97 -36.54 28.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.435 -0.791 . . . . 0.0 109.476 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.14 -56.35 4.73 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.319 -0.863 . . . . 0.0 109.937 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.516 ' CD1' ' HB3' ' B' ' 344' ' ' LEU . 1.4 mm? -45.36 -59.21 2.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.179 -0.951 . . . . 0.0 109.808 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.458 ' HA ' ' CD1' ' C' ' 348' ' ' LEU . 1.9 p30 -62.39 -27.36 69.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.098 -1.001 . . . . 0.0 110.051 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 1.2 tp10 -63.97 -43.27 96.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.088 -1.007 . . . . 0.0 109.888 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.451 ' HB3' HD22 ' B' ' 348' ' ' LEU . . . -74.04 -36.97 64.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.244 -0.91 . . . . 0.0 109.39 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' C' ' 344' ' ' LEU . 20.5 mt -57.2 -51.89 67.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.099 -1.0 . . . . 0.0 108.886 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -60.57 -33.63 72.99 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.286 -0.884 . . . . 0.0 108.687 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.546 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -63.02 -30.62 71.75 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.429 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 2.3 ttpt -63.27 -45.86 89.53 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.93 -34.24 69.66 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.376 -0.827 . . . . 0.0 109.021 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.66 48.77 1.4 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.875 . . . . 0.0 109.428 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.561 ' NE2' ' CD1' ' B' ' 350' ' ' LEU . 0.0 OUTLIER -129.37 140.06 51.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.544 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.54 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.449 ' HB3' ' CE2' ' D' ' 328' ' ' PHE . 2.8 tt0 -117.42 159.75 22.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.173 -1.192 . . . . 0.0 109.464 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.413 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 6.0 m-85 -105.53 120.49 41.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.306 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.581 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 89.9 m-85 -115.78 142.44 46.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.122 -0.986 . . . . 0.0 109.587 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.68 129.04 52.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 109.336 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.58 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 1.0 OUTLIER -110.32 85.42 2.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 0.0 109.185 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -81.15 107.99 14.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.18 -0.95 . . . . 0.0 109.699 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.6 141.06 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.258 -0.901 . . . . 0.0 109.285 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -94.9 138.51 32.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.924 . . . . 0.0 109.508 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 133.08 -126.89 4.55 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 35.6 ttm180 178.93 -45.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.329 -1.1 . . . . 0.0 108.98 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.4 -55.43 6.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.355 -0.84 . . . . 0.0 109.075 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -53.6 -47.55 70.07 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.37 -0.831 . . . . 0.0 109.2 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' C' ' 328' ' ' PHE . 84.8 t80 -56.76 -33.09 66.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 0.0 109.327 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -42.16 75.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 0.0 109.116 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.9 mtm -53.57 -56.05 20.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.0 109.032 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 19.3 m-85 -58.74 -39.07 79.84 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.319 -0.863 . . . . 0.0 108.926 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 ttp180 -50.21 -36.65 31.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.85 . . . . 0.0 109.507 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.84 -56.16 4.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.904 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.547 ' HB3' ' CD1' ' A' ' 344' ' ' LEU . 1.4 mm? -45.56 -59.02 2.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.175 -0.953 . . . . 0.0 109.892 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.454 ' HA ' ' CD1' ' D' ' 348' ' ' LEU . 2.0 p30 -62.78 -26.77 68.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.088 -1.008 . . . . 0.0 110.064 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 1.2 tp10 -63.98 -43.61 95.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.1 -1.0 . . . . 0.0 109.793 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.475 ' HB3' HD22 ' A' ' 348' ' ' LEU . . . -73.4 -39.0 65.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.124 -0.985 . . . . 0.0 109.419 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' D' ' 345' ' ' ASN . 19.7 mt -55.49 -52.02 65.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.196 -0.94 . . . . 0.0 108.863 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.69 -34.26 74.09 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.288 -0.882 . . . . 0.0 108.67 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.539 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -62.13 -31.11 71.54 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.536 ' CB ' ' CD2' ' A' ' 350' ' ' LEU . 2.3 ttpt -62.95 -46.54 87.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.446 -0.784 . . . . 0.0 108.906 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.28 -33.87 68.08 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.467 -0.77 . . . . 0.0 108.945 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -93.3 48.28 1.31 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 0.0 109.415 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.563 ' NE2' ' CD1' ' A' ' 350' ' ' LEU . 0.0 OUTLIER -129.35 139.77 51.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.198 -0.939 . . . . 0.0 109.332 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.551 -179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -124.33 -179.71 4.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -1.133 . . . . 0.0 109.443 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.501 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 6.4 m-85 -102.47 108.91 20.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.219 -0.925 . . . . 0.0 109.365 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 54.7 m-85 -98.04 170.58 8.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.163 -0.961 . . . . 0.0 108.865 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.581 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -138.33 130.49 28.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.167 -0.958 . . . . 0.0 110.116 -179.231 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.582 ' CD2' ' ND2' ' B' ' 345' ' ' ASN . 0.1 OUTLIER -110.94 97.34 6.75 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.241 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.52 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.4 mt-30 -86.75 112.2 21.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.155 -0.965 . . . . 0.0 108.834 -179.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -110.36 113.75 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.513 -0.742 . . . . 0.0 109.809 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.488 ' HG2' ' CZ ' ' B' ' 327' ' ' TYR . 37.6 mtm180 -77.19 97.88 4.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.188 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 171.48 -118.6 0.75 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 5.0 ttm180 173.14 -66.12 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.513 -0.992 . . . . 0.0 109.119 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.01 -51.22 70.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.292 -0.88 . . . . 0.0 109.052 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 340' ' ' MET . 8.4 mtm105 -56.12 -40.55 73.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 108.791 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.499 ' CD1' ' HB3' ' B' ' 328' ' ' PHE . 71.1 t80 -57.94 -40.98 81.8 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.318 -0.864 . . . . 0.0 108.894 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 342' ' ' ARG . 19.7 mt-10 -61.13 -39.77 91.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.137 -0.977 . . . . 0.0 108.674 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.476 ' HE1' HD23 ' C' ' 344' ' ' LEU . 3.1 mtp -53.48 -49.93 66.42 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.991 0.9 . . . . 0.0 109.285 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 345' ' ' ASN . 3.2 m-85 -66.4 -29.41 69.57 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.705 0.764 . . . . 0.0 109.223 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -60.52 -38.15 83.47 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.439 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 49.1 tp10 -70.59 -49.13 51.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.901 . . . . 0.0 108.726 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.494 ' CD1' HD13 ' D' ' 348' ' ' LEU . 1.1 mm? -59.77 -23.9 63.64 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.526 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.0 OUTLIER -85.76 -26.25 25.92 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 350' ' ' LEU . 20.7 tp10 -70.5 -42.23 71.59 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.533 -0.729 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.521 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -74.82 -47.28 31.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.28 -0.887 . . . . 0.0 109.736 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 344' ' ' LEU . 75.0 mt -54.83 -52.21 63.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.091 -1.006 . . . . 0.0 108.759 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.05 -26.32 68.19 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.129 -0.982 . . . . 0.0 108.538 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 347' ' ' ALA . 0.1 OUTLIER -71.81 -28.05 63.34 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 120.918 -1.114 . . . . 0.0 108.144 179.443 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.432 ' HG3' HD21 ' D' ' 350' ' ' LEU . 6.8 tttt -62.91 -43.61 98.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.47 -34.86 77.67 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -90.01 26.3 1.89 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.345 -0.847 . . . . 0.0 109.577 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.555 ' HG3' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -117.38 103.74 10.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 0.0 109.777 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.581 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -124.5 -179.25 4.41 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -1.129 . . . . 0.0 109.458 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 333' ' ' ARG . 6.2 m-85 -103.11 106.86 17.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.532 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 55.5 m-85 -97.42 166.36 11.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.0 109.17 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.581 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -133.19 137.46 46.18 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.328 -0.858 . . . . 0.0 109.94 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.526 ' CD2' ' ND2' ' A' ' 345' ' ' ASN . 0.0 OUTLIER -117.86 88.61 2.95 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 3.2 mt-30 -77.95 112.93 15.36 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.185 -0.947 . . . . 0.0 109.858 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.86 114.02 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.347 -0.846 . . . . 0.0 109.289 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.501 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 38.0 mtm180 -77.49 97.93 5.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.0 109.171 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 171.02 -119.14 0.78 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 5.0 ttm180 174.1 -66.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.323 -1.104 . . . . 0.0 109.219 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.53 -50.85 72.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.137 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -56.53 -41.55 76.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.006 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 328' ' ' PHE . 72.1 t80 -56.78 -41.86 78.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.197 -0.94 . . . . 0.0 108.777 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.414 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 17.7 mt-10 -60.41 -41.06 93.12 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.46 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 3.5 mtp -53.24 -50.35 64.96 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' B' ' 345' ' ' ASN . 3.3 m-85 -66.48 -26.11 67.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.45 -0.781 . . . . 0.0 109.001 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.414 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -63.59 -37.45 87.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.352 -0.842 . . . . 0.0 108.953 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.461 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 49.0 tp10 -70.31 -49.07 53.31 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.271 -0.893 . . . . 0.0 108.797 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.492 ' HB3' HD13 ' C' ' 344' ' ' LEU . 1.2 mm? -60.34 -23.03 63.93 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.582 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.0 OUTLIER -86.62 -25.66 24.81 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' B' ' 350' ' ' LEU . 21.2 tp10 -71.88 -40.79 68.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.422 -0.799 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.507 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . . . -75.97 -46.69 28.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.329 -0.857 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.459 HD22 ' HB1' ' C' ' 347' ' ' ALA . 79.1 mt -55.65 -52.02 65.26 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.127 -0.983 . . . . 0.0 108.961 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.94 -28.54 69.61 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.527 ' CD1' HD12 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -68.74 -29.66 68.11 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.41 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.456 ' HA ' HD23 ' C' ' 350' ' ' LEU . 6.8 tttt -62.26 -41.8 98.77 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.62 -32.26 73.85 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -91.99 25.5 2.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.446 -0.783 . . . . 0.0 109.16 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.462 ' HG3' HD12 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -117.62 104.96 11.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.865 . . . . 0.0 109.667 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.493 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -124.88 -179.09 4.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.266 -1.137 . . . . 0.0 109.402 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.541 ' CZ ' ' HG2' ' D' ' 333' ' ' ARG . 6.3 m-85 -103.31 106.94 17.57 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.237 -0.914 . . . . 0.0 109.51 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 54.9 m-85 -96.59 169.4 9.91 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.22 -0.925 . . . . 0.0 109.155 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.547 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.3 OUTLIER -136.55 133.28 36.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.192 -0.942 . . . . 0.0 109.989 -179.573 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.568 ' CD2' ' ND2' ' D' ' 345' ' ' ASN . 0.1 OUTLIER -114.49 89.36 3.07 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.344 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.2 mt-30 -78.36 113.27 16.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.839 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -111.5 113.54 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 109.398 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.547 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 37.4 mtm180 -76.89 98.3 4.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.417 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 170.53 -118.8 0.77 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 5.1 ttm180 173.78 -66.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.366 -1.079 . . . . 0.0 109.213 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.13 -51.21 70.98 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.201 -0.937 . . . . 0.0 109.07 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' C' ' 340' ' ' MET . 8.6 mtm105 -56.23 -41.24 75.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.255 -0.903 . . . . 0.0 108.916 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 71.8 t80 -57.06 -42.01 79.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.322 -0.861 . . . . 0.0 108.871 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.412 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 17.8 mt-10 -60.22 -40.78 91.37 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.476 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 3.5 mtp -53.29 -50.28 65.22 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' C' ' 345' ' ' ASN . 3.3 m-85 -66.42 -26.08 67.05 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.567 -0.708 . . . . 0.0 109.103 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.412 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -63.55 -37.39 87.15 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.434 -0.791 . . . . 0.0 109.006 179.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.45 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 49.5 tp10 -70.51 -49.35 49.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 108.747 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' B' ' 344' ' ' LEU . 0.9 OUTLIER -60.01 -22.69 62.92 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.051 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.577 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.0 OUTLIER -87.42 -25.27 23.87 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' C' ' 350' ' ' LEU . 21.5 tp10 -72.19 -40.89 67.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.432 -0.793 . . . . 0.0 109.203 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . . . -75.88 -45.49 35.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.309 -0.87 . . . . 0.0 109.38 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' B' ' 344' ' ' LEU . 80.0 mt -56.95 -51.82 67.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.022 -1.049 . . . . 0.0 108.94 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.79 -28.49 69.49 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -68.76 -29.86 68.34 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.447 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.472 ' HA ' HD23 ' B' ' 350' ' ' LEU . 6.7 tttt -61.9 -41.89 98.44 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.82 -32.21 73.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.412 -0.805 . . . . 0.0 108.909 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -91.92 25.74 2.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.454 -0.779 . . . . 0.0 109.304 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.49 ' HG3' HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -118.02 105.48 11.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.896 . . . . 0.0 109.594 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.379 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -124.7 -179.42 4.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.291 -1.123 . . . . 0.0 109.482 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.547 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 6.3 m-85 -103.07 107.01 17.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.371 -0.831 . . . . 0.0 109.493 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 54.8 m-85 -96.74 169.11 10.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.925 . . . . 0.0 109.07 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.547 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.3 OUTLIER -136.38 133.06 36.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.114 -0.992 . . . . 0.0 109.97 -179.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.577 ' CD2' ' ND2' ' C' ' 345' ' ' ASN . 0.1 OUTLIER -114.13 89.35 3.07 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.2 mt-30 -78.43 112.97 16.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.258 -0.901 . . . . 0.0 109.815 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -111.06 113.74 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.326 -0.859 . . . . 0.0 109.399 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.541 ' HG2' ' CZ ' ' C' ' 327' ' ' TYR . 36.6 mtm180 -77.09 98.61 5.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.147 -0.971 . . . . 0.0 109.501 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 170.08 -119.03 0.79 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 5.1 ttm180 174.21 -66.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -1.098 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.12 -50.95 72.08 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.296 -0.878 . . . . 0.0 109.256 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' D' ' 340' ' ' MET . 8.7 mtm105 -56.44 -41.14 75.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.211 -0.93 . . . . 0.0 108.976 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 72.3 t80 -57.15 -41.95 80.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.3 -0.875 . . . . 0.0 108.817 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' D' ' 342' ' ' ARG . 17.8 mt-10 -60.13 -40.99 91.72 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.461 ' SD ' ' HG2' ' B' ' 343' ' ' GLU . 3.6 mtp -53.14 -50.37 64.67 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.453 ' CE1' ' CD1' ' C' ' 348' ' ' LEU . 3.3 m-85 -66.37 -26.15 67.13 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.549 -0.72 . . . . 0.0 109.072 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -63.47 -37.23 86.49 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.326 -0.859 . . . . 0.0 109.03 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.46 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 49.4 tp10 -70.52 -49.66 45.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.272 -0.892 . . . . 0.0 108.694 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.489 HD13 ' HB3' ' A' ' 344' ' ' LEU . 0.8 OUTLIER -60.02 -22.67 62.91 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.568 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.0 OUTLIER -87.2 -25.45 24.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' D' ' 350' ' ' LEU . 21.3 tp10 -71.82 -41.11 68.61 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.338 -0.851 . . . . 0.0 109.205 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.524 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . . . -75.37 -47.16 28.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.291 -0.881 . . . . 0.0 109.391 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' ' 344' ' ' LEU . 78.8 mt -55.44 -52.03 64.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.083 -1.01 . . . . 0.0 108.967 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.97 -28.37 69.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.288 -0.883 . . . . 0.0 108.761 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.555 HD12 ' HG3' ' A' ' 354' ' ' GLN . 0.1 OUTLIER -69.05 -29.46 67.6 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.407 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.476 ' HA ' HD23 ' A' ' 350' ' ' LEU . 6.8 tttt -62.17 -41.8 98.67 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.87 -31.95 73.42 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.425 -0.797 . . . . 0.0 108.853 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.26 25.42 2.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.352 -0.842 . . . . 0.0 109.322 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.458 ' HG3' HD12 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -118.02 105.49 11.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.253 -0.904 . . . . 0.0 109.619 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.414 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -99.91 -169.51 1.75 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -1.15 . . . . 0.0 109.171 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 5.2 m-85 -115.2 108.61 16.82 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.29 -0.881 . . . . 0.0 109.21 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 44.0 m-85 -97.55 174.43 6.66 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.224 -0.922 . . . . 0.0 108.661 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.553 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -136.9 133.77 36.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.105 -0.997 . . . . 0.0 109.732 -179.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.1 OUTLIER -114.64 97.15 6.11 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.661 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.533 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 78.3 mt-30 -88.24 112.05 22.35 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.33 -0.856 . . . . 0.0 108.882 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.27 113.77 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.433 -0.792 . . . . 0.0 110.008 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.508 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 9.7 ttp180 -77.96 91.31 4.2 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.238 -0.914 . . . . 0.0 108.765 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.67 -130.9 1.74 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -173.1 -48.62 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.35 -1.088 . . . . 0.0 108.865 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.28 -31.93 55.17 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.268 -0.895 . . . . 0.0 108.913 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -72.36 -45.88 57.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.221 -0.925 . . . . 0.0 108.6 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CE1' ' CD1' ' B' ' 330' ' ' LEU . 49.9 t80 -62.06 -30.2 70.82 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.218 -0.926 . . . . 0.0 108.603 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.35 -45.33 66.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.23 -0.919 . . . . 0.0 108.9 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.491 ' HE1' HD23 ' C' ' 344' ' ' LEU . 6.4 mtp -49.5 -47.49 48.65 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.994 0.902 . . . . 0.0 109.219 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.434 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 3.2 m-85 -66.72 -39.29 87.95 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.868 0.842 . . . . 0.0 108.963 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 1.8 ttp85 -50.42 -32.46 17.79 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.456 ' HG2' ' HE2' ' C' ' 340' ' ' MET . 2.6 tt0 -74.27 -60.54 2.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.481 -0.762 . . . . 0.0 109.785 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.459 HD23 ' HE1' ' C' ' 340' ' ' MET . 1.4 mm? -57.17 -63.19 1.3 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.955 -1.09 . . . . 0.0 108.638 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 21.5 t-20 -44.85 -30.88 1.06 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.586 -0.696 . . . . 0.0 109.342 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 8.0 mm-40 -69.34 -49.09 58.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.169 -0.957 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' D' ' 347' ' ' ALA . . . -60.69 -44.75 96.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.151 -0.968 . . . . 0.0 109.836 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' D' ' 347' ' ' ALA . 60.9 mt -55.75 -51.76 66.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.969 . . . . 0.0 108.54 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.96 -25.56 65.3 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.557 HD11 ' NE2' ' D' ' 354' ' ' GLN . 0.1 OUTLIER -71.58 -31.92 67.49 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.1 -1.0 . . . . 0.0 108.514 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.479 ' HA ' HD23 ' D' ' 350' ' ' LEU . 23.0 tttm -63.02 -40.1 96.75 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.96 -25.58 61.92 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.18 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -87.93 -13.7 41.17 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.303 -0.873 . . . . 0.0 109.868 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.479 ' NE2' HD11 ' D' ' 350' ' ' LEU . 6.2 mt-30 -44.01 128.4 5.72 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.374 -0.829 . . . . 0.0 109.851 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.503 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -99.28 -168.71 1.65 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.246 -1.149 . . . . 0.0 109.397 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 4.9 m-85 -116.12 104.69 11.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.216 -0.927 . . . . 0.0 109.691 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 46.9 m-85 -95.29 169.09 10.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.064 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.553 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.3 OUTLIER -131.21 140.34 49.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.263 -0.898 . . . . 0.0 109.691 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -120.34 90.51 3.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.355 -0.841 . . . . 0.0 108.791 179.437 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 74.5 mt-30 -82.09 112.01 18.75 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.86 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' B' ' 338' ' ' PHE . 3.2 mt -106.46 114.99 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.329 -0.857 . . . . 0.0 109.527 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.53 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 9.7 ttp180 -79.37 90.38 5.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 0.0 108.976 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.14 -129.68 1.51 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -173.16 -49.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -1.053 . . . . 0.0 108.923 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.0 -31.54 59.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.331 -0.856 . . . . 0.0 109.004 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -72.82 -46.37 53.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.363 -0.836 . . . . 0.0 108.946 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.491 ' CE1' HD11 ' A' ' 330' ' ' LEU . 49.9 t80 -61.76 -29.85 70.4 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.68 -47.01 62.07 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.473 ' HE2' ' HG2' ' D' ' 343' ' ' GLU . 7.0 mtp -48.89 -48.05 42.67 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.434 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 3.3 m-85 -66.05 -37.49 85.97 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 1.9 ttp85 -53.17 -28.79 28.16 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.469 ' HG2' ' HE2' ' D' ' 340' ' ' MET . 2.4 tt0 -76.41 -63.07 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.459 -0.776 . . . . 0.0 109.102 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.438 HD13 ' HB3' ' C' ' 344' ' ' LEU . 1.7 mm? -54.13 -67.64 0.25 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.044 -1.035 . . . . 0.0 108.283 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 345' ' ' ASN . 21.9 t30 -41.56 -28.04 0.12 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.646 -0.659 . . . . 0.0 109.676 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 7.4 mm-40 -73.21 -48.3 36.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.187 -0.946 . . . . 0.0 109.449 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.481 ' HB3' HD22 ' C' ' 348' ' ' LEU . . . -60.89 -45.51 94.33 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.199 -0.938 . . . . 0.0 109.472 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' C' ' 347' ' ' ALA . 56.8 mt -55.21 -52.14 64.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.138 -0.976 . . . . 0.0 108.768 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.69 -26.36 65.52 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.282 -0.887 . . . . 0.0 108.697 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -70.26 -34.02 72.31 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.466 ' HA ' HD23 ' C' ' 350' ' ' LEU . 22.6 tttm -61.42 -39.41 90.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.421 -0.799 . . . . 0.0 108.877 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.11 -24.0 60.57 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.415 -0.803 . . . . 0.0 109.189 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.64 -12.28 40.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.317 -0.864 . . . . 0.0 109.417 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.487 ' NE2' HD11 ' C' ' 350' ' ' LEU . 6.9 mt-30 -45.6 129.17 8.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 0.0 109.631 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.424 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.36 -168.42 1.61 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.19 -1.182 . . . . 0.0 109.377 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' D' ' 333' ' ' ARG . 4.8 m-85 -116.57 104.42 11.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.156 -0.965 . . . . 0.0 109.572 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 47.2 m-85 -94.07 171.9 8.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.27 -0.894 . . . . 0.0 109.177 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.444 ' CG2' HG23 ' D' ' 329' ' ' THR . 0.2 OUTLIER -134.62 135.84 42.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.115 -0.991 . . . . 0.0 109.81 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -117.02 91.55 3.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.27 -0.894 . . . . 0.0 109.082 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 74.6 mt-30 -82.83 112.37 19.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.375 -0.828 . . . . 0.0 109.61 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' C' ' 338' ' ' PHE . 3.2 mt -107.0 114.71 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.383 -0.823 . . . . 0.0 109.633 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.576 ' HB2' ' CE1' ' D' ' 327' ' ' TYR . 10.2 ttp180 -78.51 90.5 4.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.255 -0.903 . . . . 0.0 109.262 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.2 -130.71 1.73 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -171.54 -49.08 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.333 -1.098 . . . . 0.0 109.034 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.14 -31.82 58.79 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.349 -0.845 . . . . 0.0 109.023 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -72.69 -46.05 55.69 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.287 -0.883 . . . . 0.0 108.739 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' D' ' 330' ' ' LEU . 49.5 t80 -61.99 -30.35 70.88 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.22 -46.87 63.61 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.459 ' HE1' HD23 ' A' ' 344' ' ' LEU . 7.3 mtp -48.71 -48.18 40.6 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.3 m-85 -65.99 -37.61 86.39 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 ttp85 -53.0 -27.92 21.49 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.3 tt0 -77.53 -62.8 1.54 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.491 HD23 ' HE1' ' A' ' 340' ' ' MET . 1.5 mm? -54.03 -68.09 0.21 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.064 -1.022 . . . . 0.0 108.308 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' C' ' 345' ' ' ASN . 22.0 t30 -41.14 -29.44 0.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.652 -0.655 . . . . 0.0 109.927 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 7.7 mm-40 -72.15 -48.32 44.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.151 -0.968 . . . . 0.0 109.775 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.481 ' HB3' HD22 ' B' ' 348' ' ' LEU . . . -61.44 -42.43 98.75 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.297 -0.877 . . . . 0.0 109.362 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' B' ' 347' ' ' ALA . 60.4 mt -58.14 -51.89 67.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.039 -1.038 . . . . 0.0 108.682 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.5 -26.2 65.09 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.305 -0.872 . . . . 0.0 108.787 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.532 ' CD1' HD13 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -70.48 -33.2 70.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.514 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.473 ' HA ' HD23 ' B' ' 350' ' ' LEU . 23.0 tttm -62.12 -38.97 90.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.475 -0.766 . . . . 0.0 108.986 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.3 -23.99 60.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.324 -0.86 . . . . 0.0 109.054 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.61 -12.77 38.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 0.0 109.472 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.525 ' NE2' HD11 ' B' ' 350' ' ' LEU . 6.8 mt-30 -45.29 129.23 8.08 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.325 -0.859 . . . . 0.0 109.739 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.568 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.5 -168.58 1.63 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -1.121 . . . . 0.0 109.364 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' C' ' 333' ' ' ARG . 4.8 m-85 -116.36 104.88 11.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.139 -0.975 . . . . 0.0 109.657 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 47.8 m-85 -94.55 171.6 8.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -0.924 . . . . 0.0 109.105 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.444 HG23 ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -134.34 136.22 43.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.221 -0.924 . . . . 0.0 109.834 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.518 HD11 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -117.3 91.7 3.65 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.382 -0.824 . . . . 0.0 109.064 179.552 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 74.4 mt-30 -82.85 112.61 19.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.249 -0.907 . . . . 0.0 109.629 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' D' ' 338' ' ' PHE . 3.2 mt -107.1 114.59 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.285 -0.885 . . . . 0.0 109.614 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' C' ' 327' ' ' TYR . 10.0 ttp180 -78.43 90.86 4.45 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.249 -0.907 . . . . 0.0 109.356 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.89 -130.38 1.69 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -171.87 -48.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -1.119 . . . . 0.0 109.08 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.24 -31.63 58.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.419 -0.8 . . . . 0.0 109.075 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -72.77 -46.05 55.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.295 -0.878 . . . . 0.0 108.762 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' C' ' 330' ' ' LEU . 50.5 t80 -62.03 -30.16 70.77 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.267 -0.896 . . . . 0.0 108.714 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.35 -46.78 63.46 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.245 -0.909 . . . . 0.0 108.689 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.469 ' HE2' ' HG2' ' B' ' 343' ' ' GLU . 7.2 mtp -48.93 -48.44 42.79 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 3.3 m-85 -65.6 -37.06 85.55 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 ttp85 -53.72 -28.02 31.63 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.473 ' HG2' ' HE2' ' B' ' 340' ' ' MET . 2.3 tt0 -77.08 -63.05 1.45 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.477 -0.764 . . . . 0.0 109.099 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.448 HD23 ' HE1' ' B' ' 340' ' ' MET . 1.5 mm? -54.25 -67.45 0.26 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.095 -1.003 . . . . 0.0 108.412 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.46 ' O ' ' OD1' ' D' ' 345' ' ' ASN . 22.9 t30 -41.48 -29.17 0.15 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.585 -0.697 . . . . 0.0 109.738 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 7.6 mm-40 -71.96 -48.54 44.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 109.595 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.481 ' HB3' HD22 ' A' ' 348' ' ' LEU . . . -60.77 -45.19 95.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.271 -0.893 . . . . 0.0 109.385 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' A' ' 347' ' ' ALA . 61.2 mt -55.6 -52.22 64.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.183 -0.948 . . . . 0.0 108.789 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.6 -26.63 65.61 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -69.86 -33.8 72.74 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.477 ' HA ' HD23 ' A' ' 350' ' ' LEU . 23.0 tttm -62.04 -38.68 89.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.477 -0.764 . . . . 0.0 108.956 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.84 -23.97 59.7 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.31 -0.868 . . . . 0.0 109.03 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' D' ' 354' ' ' GLN . . . -89.52 -13.17 37.99 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.332 -0.855 . . . . 0.0 109.491 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.557 ' NE2' HD11 ' A' ' 350' ' ' LEU . 7.7 mt-30 -45.47 129.53 8.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.313 -0.867 . . . . 0.0 109.733 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.391 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -136.43 -171.34 2.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.236 -1.155 . . . . 0.0 109.638 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.59 ' CD1' ' HG2' ' B' ' 333' ' ' ARG . 20.2 m-30 -114.37 126.3 54.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.265 -0.897 . . . . 0.0 109.546 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.587 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 74.3 m-85 -122.36 138.59 54.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.349 -0.844 . . . . 0.0 108.99 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.458 HG23 HG23 ' B' ' 329' ' ' THR . 0.2 OUTLIER -102.81 131.97 49.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.938 -1.101 . . . . 0.0 109.695 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.485 HD23 ' ND2' ' B' ' 345' ' ' ASN . 0.7 OUTLIER -114.54 96.32 5.69 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 54.5 tt0 -89.25 109.97 20.79 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.269 -0.895 . . . . 0.0 109.264 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 6.1 mt -110.01 127.87 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.395 -0.816 . . . . 0.0 109.755 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.552 ' HG2' ' CD1' ' B' ' 327' ' ' TYR . 23.4 mtm105 -89.98 107.02 18.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.315 -0.866 . . . . 0.0 109.008 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 335' ' ' ARG . . . 171.98 -114.2 0.52 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 334' ' ' GLY . 7.2 ttt180 164.08 -39.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.552 -0.969 . . . . 0.0 108.928 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -84.77 -47.21 10.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.485 ' CD ' ' CD1' ' B' ' 348' ' ' LEU . 2.2 mtm180 -61.51 -38.01 85.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.303 -0.873 . . . . 0.0 109.06 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 58.3 t80 -62.38 -30.89 71.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 108.93 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.24 -44.71 64.8 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.292 -0.88 . . . . 0.0 109.325 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.487 ' O ' HD21 ' A' ' 344' ' ' LEU . 13.7 mtm -54.93 -46.03 74.9 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.485 -0.759 . . . . 0.0 109.655 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -66.94 -38.87 86.94 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.723 0.773 . . . . 0.0 109.899 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 1.8 mtp180 -51.68 -38.66 55.96 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -73.83 -53.21 10.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.421 -0.799 . . . . 0.0 110.002 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.506 ' HB3' HD13 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -47.14 -60.6 2.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.193 -0.942 . . . . 0.0 109.661 -179.422 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.459 ' C ' ' OD1' ' A' ' 345' ' ' ASN . 4.8 p30 -63.71 -22.74 67.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.13 -0.981 . . . . 0.0 109.862 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' A' ' 343' ' ' GLU . 11.5 tt0 -61.67 -46.28 90.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.941 -1.1 . . . . 0.0 109.67 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.467 ' HA ' HD22 ' A' ' 350' ' ' LEU . . . -71.74 -46.59 58.07 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.209 -0.932 . . . . 0.0 109.969 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.462 HD12 ' HG2' ' B' ' 337' ' ' ARG . 50.8 mt -48.64 -50.92 30.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.137 -0.977 . . . . 0.0 108.788 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -35.03 74.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.117 -0.989 . . . . 0.0 108.551 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.542 HD23 ' CA ' ' D' ' 351' ' ' LYS . 0.2 OUTLIER -61.59 -30.2 70.52 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.532 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 17.8 tttt -63.43 -45.16 92.23 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -15.19 62.41 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.491 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -101.24 -3.91 28.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.236 -0.915 . . . . 0.0 110.043 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.53 ' CG ' HD12 ' D' ' 350' ' ' LEU . 9.5 mt-30 -50.26 104.14 0.07 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.726 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.604 179.832 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -136.69 -172.36 3.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.237 -1.155 . . . . 0.0 109.646 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 333' ' ' ARG . 20.6 m-30 -113.59 126.56 55.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.59 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 74.1 m-85 -122.86 138.18 54.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.322 -0.861 . . . . 0.0 109.197 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.458 HG23 HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -101.31 138.1 38.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.973 -1.079 . . . . 0.0 109.37 179.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -120.63 88.44 2.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 109.091 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 52.4 tt0 -81.39 110.87 17.22 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.242 -0.911 . . . . 0.0 110.084 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -110.89 127.99 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.315 -0.866 . . . . 0.0 109.082 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.59 ' HG2' ' CD1' ' A' ' 327' ' ' TYR . 24.2 mtm105 -90.7 105.79 18.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.335 -0.853 . . . . 0.0 109.212 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' B' ' 335' ' ' ARG . . . 172.88 -112.58 0.44 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' B' ' 334' ' ' GLY . 7.7 ttt180 162.95 -39.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.541 -0.976 . . . . 0.0 108.925 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -84.26 -46.61 11.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 0.0 109.323 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.462 ' HG2' HD12 ' A' ' 348' ' ' LEU . 2.6 mtm180 -61.92 -39.46 92.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.154 -0.966 . . . . 0.0 109.225 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 58.3 t80 -61.41 -29.76 70.14 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.28 -0.888 . . . . 0.0 109.093 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.59 -45.97 56.54 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.368 -0.832 . . . . 0.0 108.977 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.483 ' O ' HD21 ' B' ' 344' ' ' LEU . 19.2 mtm -54.52 -47.61 72.93 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.266 -0.896 . . . . 0.0 108.965 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.15 -38.69 91.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.732 . . . . 0.0 109.44 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 1.5 mtp180 -52.44 -36.63 55.05 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.327 -0.858 . . . . 0.0 109.317 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' B' ' 346' ' ' GLU . 0.4 OUTLIER -75.85 -52.27 10.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.504 -0.747 . . . . 0.0 109.873 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.525 ' HB3' HD13 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -47.66 -60.64 2.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.118 -0.989 . . . . 0.0 109.512 -179.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.485 ' ND2' HD23 ' A' ' 330' ' ' LEU . 4.1 p30 -63.19 -22.34 66.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.21 -0.931 . . . . 0.0 109.8 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' B' ' 343' ' ' GLU . 11.4 tt0 -62.4 -47.18 85.24 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.093 -1.005 . . . . 0.0 109.639 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.48 ' HA ' HD22 ' B' ' 350' ' ' LEU . . . -70.52 -48.19 56.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.164 -0.96 . . . . 0.0 109.644 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.485 ' CD1' ' CD ' ' A' ' 337' ' ' ARG . 57.2 mt -46.83 -51.94 15.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 109.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -36.39 76.96 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.304 -0.873 . . . . 0.0 108.658 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.556 HD12 ' CG ' ' C' ' 354' ' ' GLN . 0.2 OUTLIER -59.22 -31.85 69.42 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.35 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.534 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 17.8 tttt -62.15 -44.52 96.43 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.39 -13.97 61.59 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.449 -0.782 . . . . 0.0 109.443 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.31 -3.41 27.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.221 -0.925 . . . . 0.0 109.775 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.523 ' CG ' HD12 ' C' ' 350' ' ' LEU . 10.6 mt-30 -51.01 104.49 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.235 -0.915 . . . . 0.0 109.709 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.005 -0.997 . . . . 0.0 109.482 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -136.46 -171.63 2.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.216 -1.167 . . . . 0.0 109.567 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' D' ' 333' ' ' ARG . 20.4 m-30 -114.1 126.53 55.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.395 -0.815 . . . . 0.0 109.518 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.579 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 75.5 m-85 -122.49 138.32 54.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.36 -0.837 . . . . 0.0 109.146 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.448 HG23 HG23 ' D' ' 329' ' ' THR . 0.2 OUTLIER -102.24 133.91 46.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.051 -1.031 . . . . 0.0 109.686 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.436 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.7 OUTLIER -116.96 90.51 3.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.359 -0.838 . . . . 0.0 109.188 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 53.1 tt0 -83.17 111.3 18.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.282 -0.887 . . . . 0.0 109.851 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.33 127.77 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.301 -0.875 . . . . 0.0 109.273 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.575 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 24.8 mtm105 -90.25 106.5 18.53 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.471 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 171.93 -113.04 0.47 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 7.1 ttt180 163.83 -39.9 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.436 -1.037 . . . . 0.0 108.937 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -83.8 -47.25 11.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.365 -0.834 . . . . 0.0 109.336 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.457 ' HG2' HD12 ' D' ' 348' ' ' LEU . 2.5 mtm180 -61.48 -38.98 89.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.314 -0.866 . . . . 0.0 109.262 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.591 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 59.0 t80 -61.67 -30.39 70.7 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.149 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -71.8 -45.41 61.63 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 109.093 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.498 ' O ' HD21 ' C' ' 344' ' ' LEU . 18.6 mtm -55.1 -45.64 75.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.331 -0.855 . . . . 0.0 109.006 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -66.77 -38.64 86.99 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.406 -0.809 . . . . 0.0 109.482 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 mtp180 -52.27 -36.02 51.61 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.315 -0.866 . . . . 0.0 109.375 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -76.59 -52.66 9.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.308 -0.87 . . . . 0.0 109.698 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' B' ' 344' ' ' LEU . 0.5 OUTLIER -47.2 -61.45 1.89 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.315 -0.865 . . . . 0.0 109.424 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.457 ' C ' ' OD1' ' C' ' 345' ' ' ASN . 5.0 p30 -63.08 -22.46 66.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.06 -1.025 . . . . 0.0 110.045 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.456 ' HB3' ' O ' ' C' ' 343' ' ' GLU . 11.8 tt0 -62.26 -46.85 86.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.98 -1.075 . . . . 0.0 109.586 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.466 ' HA ' HD22 ' C' ' 350' ' ' LEU . . . -70.47 -47.46 60.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.614 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' D' ' 337' ' ' ARG . 56.5 mt -47.91 -52.1 20.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.023 -1.048 . . . . 0.0 109.118 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -36.34 76.21 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.534 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.2 OUTLIER -59.61 -31.17 69.24 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.49 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.531 ' CA ' HD23 ' B' ' 350' ' ' LEU . 18.0 tttt -62.67 -44.27 96.69 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -13.81 61.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.411 -0.806 . . . . 0.0 109.402 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.43 -3.09 27.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 109.741 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.556 ' CG ' HD12 ' B' ' 350' ' ' LEU . 10.8 mt-30 -51.49 104.7 0.09 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.946 . . . . 0.0 109.733 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.506 179.852 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -136.53 -171.49 2.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.216 -1.167 . . . . 0.0 109.583 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' C' ' 333' ' ' ARG . 20.4 m-30 -114.28 126.6 55.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.591 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 76.5 m-85 -122.58 138.43 54.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.279 -0.888 . . . . 0.0 109.118 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.448 HG23 HG23 ' C' ' 329' ' ' THR . 0.2 OUTLIER -102.13 134.61 45.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.081 -1.012 . . . . 0.0 109.597 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.439 HD23 ' ND2' ' C' ' 345' ' ' ASN . 0.7 OUTLIER -117.66 90.44 3.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.886 . . . . 0.0 109.122 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.457 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 53.2 tt0 -82.9 111.13 18.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.327 -0.858 . . . . 0.0 109.86 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.12 127.82 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 0.0 109.349 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.586 ' HG2' ' CD1' ' C' ' 327' ' ' TYR . 24.6 mtm105 -90.28 106.63 18.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 0.0 109.406 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' D' ' 335' ' ' ARG . . . 171.74 -112.87 0.46 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' D' ' 334' ' ' GLY . 7.2 ttt180 163.67 -40.11 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.47 -1.018 . . . . 0.0 108.916 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -83.75 -47.16 11.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.241 -0.912 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.459 ' HG2' HD12 ' C' ' 348' ' ' LEU . 2.5 mtm180 -61.53 -38.91 89.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.213 -0.929 . . . . 0.0 109.216 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 58.6 t80 -61.75 -30.48 70.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.287 -0.883 . . . . 0.0 109.039 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -71.69 -45.54 61.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.37 -0.831 . . . . 0.0 109.07 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.482 ' O ' HD21 ' D' ' 344' ' ' LEU . 18.8 mtm -55.05 -45.49 75.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.331 -0.855 . . . . 0.0 109.139 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -66.86 -38.79 87.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.816 . . . . 0.0 109.32 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 mtp180 -52.18 -35.91 50.27 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.385 -0.822 . . . . 0.0 109.453 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -76.73 -52.1 10.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.303 -0.873 . . . . 0.0 109.632 -179.83 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 344' ' ' LEU . 0.5 OUTLIER -47.82 -61.37 1.98 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.91 . . . . 0.0 109.549 -179.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.463 ' C ' ' OD1' ' D' ' 345' ' ' ASN . 4.9 p30 -63.11 -22.06 66.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.163 -0.96 . . . . 0.0 110.009 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 11.6 tt0 -62.46 -47.04 85.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.084 -1.01 . . . . 0.0 109.468 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.468 ' HA ' HD22 ' D' ' 350' ' ' LEU . . . -70.4 -47.74 59.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 109.643 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.457 HD12 ' HG2' ' C' ' 337' ' ' ARG . 57.4 mt -47.48 -51.93 18.83 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.146 -0.971 . . . . 0.0 109.104 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -36.54 77.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 0.0 108.722 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.532 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.2 OUTLIER -59.29 -31.42 69.11 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.385 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.542 ' CA ' HD23 ' A' ' 350' ' ' LEU . 18.4 tttt -62.59 -44.47 96.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.436 -0.79 . . . . 0.0 108.952 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.31 -14.08 61.65 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.452 -0.78 . . . . 0.0 109.283 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.19 -3.12 27.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 0.0 109.786 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.536 ' NE2' HD11 ' A' ' 350' ' ' LEU . 13.1 mt-30 -51.51 104.61 0.08 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.118 -0.989 . . . . 0.0 109.746 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.491 179.859 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -137.49 -169.43 2.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -1.144 . . . . 0.0 109.397 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.574 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -99.55 111.5 23.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.171 -0.956 . . . . 0.0 109.593 -179.738 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.554 ' CZ ' ' HD2' ' B' ' 335' ' ' ARG . 52.3 m-85 -104.29 161.86 13.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -0.915 . . . . 0.0 109.495 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.573 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -120.52 132.64 55.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.211 -0.931 . . . . 0.0 109.873 -179.659 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.492 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -113.26 94.76 5.03 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 178.001 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -86.93 119.55 27.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 109.034 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.472 HG12 ' OD1' ' B' ' 345' ' ' ASN . 4.8 mt -126.4 126.4 69.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.423 -0.798 . . . . 0.0 109.626 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.577 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 2.8 mtm105 -79.94 138.5 37.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.256 -0.903 . . . . 0.0 109.064 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 132.91 -131.92 6.35 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.545 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER 178.35 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.439 -1.036 . . . . 0.0 108.902 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -41.45 81.31 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.295 -0.878 . . . . 0.0 108.917 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -67.31 -39.58 85.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.329 -0.857 . . . . 0.0 108.791 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.495 ' CZ ' ' HG ' ' B' ' 330' ' ' LEU . 53.5 t80 -61.21 -30.79 70.64 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -72.61 -39.11 67.53 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.38 -0.825 . . . . 0.0 109.218 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.452 ' CE ' HD23 ' C' ' 344' ' ' LEU . 10.1 mtp -57.78 -54.34 48.01 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.93 0.871 . . . . 0.0 109.49 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' B' ' 344' ' ' LEU . 9.5 m-85 -63.14 -36.38 83.44 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.598 0.713 . . . . 0.0 109.465 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -40.02 67.97 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.94 -43.89 82.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.399 -0.813 . . . . 0.0 109.018 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.53 HD23 ' CE ' ' C' ' 340' ' ' MET . 0.9 OUTLIER -61.7 -26.97 68.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.169 -0.957 . . . . 0.0 109.118 179.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.443 ' OD1' HG12 ' B' ' 332' ' ' ILE . 1.1 m-80 -84.86 -19.49 32.31 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.184 -0.948 . . . . 0.0 108.935 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -71.83 -45.31 61.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.518 -0.739 . . . . 0.0 109.051 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.452 ' HA ' HD22 ' A' ' 350' ' ' LEU . . . -74.11 -48.79 27.22 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.324 -0.86 . . . . 0.0 109.269 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.512 HD13 ' CD1' ' D' ' 344' ' ' LEU . 66.2 mt -52.26 -51.92 55.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 108.804 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -60.15 -31.55 70.2 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.293 -0.879 . . . . 0.0 108.649 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.539 HD12 ' CG ' ' D' ' 354' ' ' GLN . 0.1 OUTLIER -65.38 -31.18 72.15 Favored 'General case' 0 C--N 1.311 -1.095 0 O-C-N 120.959 -1.088 . . . . 0.0 108.397 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.5 ' CA ' HD23 ' D' ' 350' ' ' LEU . 7.1 ttpp -66.06 -40.13 90.66 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.96 -38.08 69.89 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 355' ' ' ALA . . . -81.62 -95.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.414 -0.804 . . . . 0.0 109.31 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.54 ' CG ' HD12 ' D' ' 350' ' ' LEU . 0.7 OUTLIER 44.41 25.72 0.14 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.252 -0.905 . . . . 0.0 109.665 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.478 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -137.34 -169.89 2.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.218 -1.166 . . . . 0.0 109.492 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -99.06 112.2 24.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 109.554 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.545 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 52.1 m-85 -105.55 160.65 15.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.199 -0.938 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.573 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.85 141.68 48.15 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 0.0 109.225 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.495 ' HG ' ' CZ ' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -122.37 81.37 1.83 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 32.1 mt-30 -74.21 122.34 22.65 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.354 -0.841 . . . . 0.0 110.104 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.443 HG12 ' OD1' ' A' ' 345' ' ' ASN . 4.5 mt -129.14 126.91 65.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.419 -0.801 . . . . 0.0 108.853 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 2.7 mtm105 -81.36 138.07 35.67 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.23 -0.919 . . . . 0.0 109.251 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 132.65 -131.32 6.14 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER 178.48 -50.12 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -1.065 . . . . 0.0 108.907 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -41.31 82.53 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.337 -0.852 . . . . 0.0 109.059 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -67.33 -41.22 85.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.313 -0.867 . . . . 0.0 108.923 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.492 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 52.8 t80 -59.59 -31.0 69.06 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.09 -39.74 65.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.364 -0.835 . . . . 0.0 108.751 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.489 ' CE ' HD23 ' D' ' 344' ' ' LEU . 10.6 mtp -57.61 -55.33 36.27 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.337 -0.852 . . . . 0.0 108.901 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 344' ' ' LEU . 12.8 m-85 -62.59 -34.71 77.55 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.465 -0.772 . . . . 0.0 109.233 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -41.32 72.92 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.275 -0.891 . . . . 0.0 108.819 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.3 -43.19 91.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.41 -0.806 . . . . 0.0 109.184 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.526 HD23 ' CE ' ' D' ' 340' ' ' MET . 0.8 OUTLIER -62.91 -25.32 68.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.283 -0.886 . . . . 0.0 108.877 179.751 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.472 ' OD1' HG12 ' A' ' 332' ' ' ILE . 1.1 m-80 -86.72 -17.96 32.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 108.83 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -73.12 -45.6 55.98 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.462 ' HA ' HD22 ' B' ' 350' ' ' LEU . . . -73.41 -49.52 26.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.331 -0.856 . . . . 0.0 109.164 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.524 HD13 ' CD1' ' C' ' 344' ' ' LEU . 58.5 mt -52.05 -51.33 58.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.065 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -60.74 -33.32 72.75 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.279 -0.888 . . . . 0.0 108.776 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.542 HD12 ' CG ' ' C' ' 354' ' ' GLN . 0.1 OUTLIER -63.21 -32.43 73.82 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.507 ' CA ' HD23 ' C' ' 350' ' ' LEU . 7.1 ttpp -65.63 -40.18 92.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.423 -0.798 . . . . 0.0 108.873 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.03 -35.16 66.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.385 -0.822 . . . . 0.0 108.926 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' B' ' 355' ' ' ALA . . . -84.99 -94.05 0.08 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.445 -0.784 . . . . 0.0 109.251 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.544 ' CG ' HD12 ' C' ' 350' ' ' LEU . 1.1 mt-30 42.4 27.2 0.08 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 0.0 109.707 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.533 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -136.98 -169.42 2.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.331 -1.099 . . . . 0.0 109.498 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.534 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 0.2 OUTLIER -99.47 111.33 23.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.195 -0.941 . . . . 0.0 109.53 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.487 ' CZ ' ' HD2' ' D' ' 335' ' ' ARG . 51.8 m-85 -104.05 161.93 13.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.246 -0.909 . . . . 0.0 109.575 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.559 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.3 OUTLIER -120.17 135.67 54.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.209 -0.932 . . . . 0.0 109.773 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.481 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -116.77 84.42 2.14 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.388 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 30.6 mt-30 -76.73 122.11 24.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.308 -0.87 . . . . 0.0 109.911 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.446 HG12 ' OD1' ' D' ' 345' ' ' ASN . 4.5 mt -129.22 125.95 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.395 -0.816 . . . . 0.0 109.162 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 2.7 mtm105 -80.05 137.8 36.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.178 -0.952 . . . . 0.0 109.588 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 132.59 -131.37 6.17 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.472 ' HD2' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER 179.0 -50.82 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.354 -1.086 . . . . 0.0 109.094 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -41.64 84.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 0.0 108.989 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -67.2 -40.82 86.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.253 -0.904 . . . . 0.0 109.0 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.481 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 53.2 t80 -59.92 -31.43 69.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.232 -0.918 . . . . 0.0 108.695 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.3 -39.82 67.99 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.53 ' CE ' HD23 ' A' ' 344' ' ' LEU . 11.0 mtp -57.58 -55.08 39.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.455 -0.778 . . . . 0.0 109.021 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' D' ' 344' ' ' LEU . 12.8 m-85 -62.56 -34.62 77.32 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.397 -0.814 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -40.92 72.51 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.249 -0.907 . . . . 0.0 108.898 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.55 -43.19 90.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.284 -0.885 . . . . 0.0 109.05 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.563 ' HB3' ' CZ ' ' D' ' 341' ' ' PHE . 0.5 OUTLIER -63.21 -25.23 68.24 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.369 -0.832 . . . . 0.0 108.998 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.468 ' OD1' HG12 ' D' ' 332' ' ' ILE . 1.1 m-80 -86.86 -18.46 30.86 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -73.11 -45.7 55.49 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.405 -0.81 . . . . 0.0 108.993 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' B' ' 348' ' ' LEU . . . -73.16 -48.07 38.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.355 -0.841 . . . . 0.0 109.106 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' B' ' 344' ' ' LEU . 59.8 mt -53.71 -51.81 62.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.182 -0.949 . . . . 0.0 108.961 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -60.14 -33.05 71.63 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.237 -0.914 . . . . 0.0 108.677 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.544 HD12 ' CG ' ' B' ' 354' ' ' GLN . 0.1 OUTLIER -63.44 -32.67 74.18 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.525 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.501 ' CA ' HD23 ' B' ' 350' ' ' LEU . 7.2 ttpp -65.36 -40.02 93.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.413 -0.805 . . . . 0.0 108.889 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.14 -35.09 66.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.386 -0.822 . . . . 0.0 108.959 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' C' ' 355' ' ' ALA . . . -85.18 -93.87 0.08 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.372 -0.83 . . . . 0.0 109.27 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.542 ' CG ' HD12 ' B' ' 350' ' ' LEU . 1.1 mt-30 42.45 26.95 0.07 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.0 109.7 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' C' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 118.091 -0.956 . . . . 0.0 109.46 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -137.21 -169.72 2.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.275 -1.132 . . . . 0.0 109.516 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.557 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 0.2 OUTLIER -99.4 111.67 23.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.911 . . . . 0.0 109.519 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.472 ' CZ ' ' HD2' ' C' ' 335' ' ' ARG . 51.5 m-85 -104.51 162.37 13.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.307 -0.871 . . . . 0.0 109.381 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.559 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.3 OUTLIER -120.71 135.77 55.04 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.28 -0.887 . . . . 0.0 109.668 -179.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.481 ' HG ' ' CZ ' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -116.81 84.42 2.14 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 108.675 179.451 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 30.5 mt-30 -76.54 122.06 24.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.306 -0.871 . . . . 0.0 109.883 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.468 HG12 ' OD1' ' C' ' 345' ' ' ASN . 4.5 mt -129.29 125.79 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.084 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 2.7 mtm105 -79.91 137.93 37.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.185 -0.947 . . . . 0.0 109.748 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 132.39 -131.45 6.24 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.487 ' HD2' ' CZ ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER 179.27 -50.77 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.367 -1.078 . . . . 0.0 109.123 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -41.98 84.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.374 -0.829 . . . . 0.0 109.04 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -66.78 -40.75 88.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.292 -0.88 . . . . 0.0 109.061 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.481 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 53.0 t80 -60.34 -30.93 69.84 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.243 -0.911 . . . . 0.0 108.636 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.68 -39.3 67.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.383 -0.823 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.526 ' CE ' HD23 ' B' ' 344' ' ' LEU . 10.5 mtp -58.21 -55.1 39.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.359 -0.838 . . . . 0.0 108.949 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' C' ' 344' ' ' LEU . 12.6 m-85 -62.5 -34.4 76.8 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.522 -0.736 . . . . 0.0 109.227 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -40.56 73.15 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.259 -0.901 . . . . 0.0 108.944 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.29 -42.12 88.83 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.425 -0.797 . . . . 0.0 109.192 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.551 ' HB3' ' CZ ' ' C' ' 341' ' ' PHE . 0.6 OUTLIER -64.07 -25.21 68.0 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 108.931 179.671 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.446 ' OD1' HG12 ' C' ' 332' ' ' ILE . 1.1 m-80 -86.68 -18.08 32.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.244 -0.91 . . . . 0.0 108.819 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.22 -45.73 54.39 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.483 ' HB1' HD22 ' A' ' 348' ' ' LEU . . . -72.83 -49.68 28.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.343 -0.848 . . . . 0.0 109.033 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.504 HD13 ' CD1' ' A' ' 344' ' ' LEU . 60.1 mt -51.97 -51.65 55.72 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.261 -0.899 . . . . 0.0 109.071 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -60.61 -33.14 72.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.275 -0.891 . . . . 0.0 108.809 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.54 HD12 ' CG ' ' A' ' 354' ' ' GLN . 0.1 OUTLIER -63.45 -32.2 73.57 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.514 ' CA ' HD23 ' A' ' 350' ' ' LEU . 7.3 ttpp -65.83 -39.84 91.21 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.383 -0.823 . . . . 0.0 108.945 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.4 -34.85 67.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.344 -0.848 . . . . 0.0 108.903 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' D' ' 354' ' ' GLN . . . -85.41 -94.1 0.08 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.37 -0.831 . . . . 0.0 109.333 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.539 ' CG ' HD12 ' A' ' 350' ' ' LEU . 1.2 mt-30 42.03 27.63 0.08 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 109.725 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' D' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -132.29 -170.91 2.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.313 -1.11 . . . . 0.0 109.504 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -102.56 120.42 40.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 109.567 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 47.1 m-85 -108.26 140.51 41.4 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.22 -0.925 . . . . 0.0 109.27 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.454 HG21 HG21 ' B' ' 329' ' ' THR . 0.2 OUTLIER -99.47 130.22 45.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.88 . . . . 0.0 109.733 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.436 HD23 ' ND2' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -114.4 94.75 4.93 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 10.8 tt0 -89.18 109.38 20.25 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.253 -0.905 . . . . 0.0 108.912 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.508 ' CD1' HD11 ' B' ' 330' ' ' LEU . 4.2 mt -107.06 134.17 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.768 . . . . 0.0 109.623 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -84.18 129.21 34.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 109.224 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 137.4 -126.55 3.67 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 3.8 ttt180 176.42 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.412 -1.052 . . . . 0.0 109.07 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.79 -36.81 50.01 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.328 -0.857 . . . . 0.0 109.127 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.456 ' HD2' HD11 ' B' ' 348' ' ' LEU . 24.4 mtm-85 -70.3 -32.41 70.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.253 -0.904 . . . . 0.0 108.805 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 81.1 t80 -67.15 -32.26 73.24 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.19 -0.944 . . . . 0.0 108.527 179.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 18.6 mt-10 -75.11 -36.42 61.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 0.0 108.737 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.474 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 4.4 mtp -55.07 -51.96 64.7 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 122.054 0.93 . . . . 0.0 109.179 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.46 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 10.5 m-30 -65.83 -44.29 86.0 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.481 -0.762 . . . . 0.0 109.269 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.484 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 0.4 OUTLIER -44.22 -33.85 1.69 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.423 ' HG2' ' HE2' ' C' ' 340' ' ' MET . 4.0 tt0 -75.55 -44.13 44.98 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.664 -0.814 . . . . 0.0 108.808 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.485 ' HB3' HD13 ' D' ' 344' ' ' LEU . 1.1 mm? -57.64 -61.77 2.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.25 -0.906 . . . . 0.0 109.273 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' A' ' 342' ' ' ARG . 24.4 p-10 -60.08 -19.15 51.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -0.957 . . . . 0.0 109.22 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 0.2 OUTLIER -64.06 -47.59 79.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.052 -1.03 . . . . 0.0 109.548 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.37 -46.11 61.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.269 -0.895 . . . . 0.0 110.003 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' D' ' 347' ' ' ALA . 58.6 mt -52.59 -47.73 66.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.972 -1.08 . . . . 0.0 108.674 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.39 -32.25 72.18 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.562 HD11 ' NE2' ' D' ' 354' ' ' GLN . 0.2 OUTLIER -65.03 -28.71 69.67 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.426 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.528 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 23.1 ttpt -65.44 -40.66 93.55 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.75 -38.46 85.23 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.093 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.68 -14.42 59.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.181 -0.949 . . . . 0.0 109.522 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.508 ' HG3' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -69.42 147.17 51.34 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.479 -0.763 . . . . 0.0 109.465 179.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.487 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.62 -170.51 2.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.278 -1.131 . . . . 0.0 109.473 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -103.02 120.65 41.03 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.155 -0.966 . . . . 0.0 109.483 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 46.2 m-85 -108.88 138.98 44.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.331 -0.856 . . . . 0.0 109.533 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.454 HG21 HG21 ' A' ' 329' ' ' THR . 0.1 OUTLIER -96.34 137.88 34.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.0 109.278 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.508 HD11 ' CD1' ' A' ' 332' ' ' ILE . 0.3 OUTLIER -122.04 83.96 2.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.356 -0.84 . . . . 0.0 108.877 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 12.9 tt0 -79.4 109.4 13.72 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.292 -0.88 . . . . 0.0 110.022 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.36 133.82 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.308 -0.87 . . . . 0.0 109.262 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -84.24 129.08 34.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 137.19 -126.43 3.67 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 3.7 ttt180 176.72 -42.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -1.126 . . . . 0.0 109.131 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -77.35 -35.99 54.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.351 -0.843 . . . . 0.0 109.261 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.437 ' HD2' HD11 ' A' ' 348' ' ' LEU . 26.4 mtm-85 -70.92 -34.1 71.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.12 -0.987 . . . . 0.0 109.045 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -66.05 -30.88 71.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.921 . . . . 0.0 108.528 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 17.6 mt-10 -76.73 -37.4 56.09 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.474 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 4.1 mtp -54.85 -52.78 61.72 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.463 ' O ' ' OD1' ' B' ' 345' ' ' ASN . 11.2 m-30 -65.63 -43.68 88.76 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.415 -0.803 . . . . 0.0 108.863 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.464 ' O ' ' OD1' ' B' ' 345' ' ' ASN . 0.6 OUTLIER -44.51 -31.87 1.24 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.4 -0.812 . . . . 0.0 108.941 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.43 ' HG2' ' HE2' ' D' ' 340' ' ' MET . 4.2 tt0 -77.34 -43.51 32.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.422 -0.799 . . . . 0.0 108.849 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' C' ' 344' ' ' LEU . 1.5 mm? -57.63 -64.18 0.99 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 108.703 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.464 ' OD1' ' O ' ' B' ' 342' ' ' ARG . 27.6 p-10 -58.07 -16.63 13.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.447 -0.783 . . . . 0.0 109.45 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 0.2 OUTLIER -67.87 -46.63 71.16 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.219 -0.926 . . . . 0.0 109.338 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.454 ' CB ' HD22 ' C' ' 348' ' ' LEU . . . -71.55 -46.92 58.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.519 HD22 ' CB ' ' C' ' 347' ' ' ALA . 62.5 mt -51.79 -48.45 63.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.187 -0.946 . . . . 0.0 109.039 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.97 -34.07 74.19 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.28 -0.887 . . . . 0.0 108.649 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -62.15 -30.77 71.27 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.459 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.531 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 23.0 ttpt -63.4 -40.57 97.58 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.23 -37.48 83.19 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.411 -0.806 . . . . 0.0 109.153 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.87 -14.96 59.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.235 -0.915 . . . . 0.0 109.206 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.494 ' HG3' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -69.82 148.76 48.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 0.0 109.474 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 118.118 -0.944 . . . . 0.0 109.499 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.48 -170.55 2.45 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.27 -1.135 . . . . 0.0 109.473 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -102.9 120.64 40.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.212 -0.93 . . . . 0.0 109.445 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 46.1 m-85 -108.56 139.43 43.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.217 -0.927 . . . . 0.0 109.52 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.47 133.23 42.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.651 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.442 HD23 ' ND2' ' D' ' 345' ' ' ASN . 0.3 OUTLIER -117.84 86.9 2.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.388 -0.82 . . . . 0.0 109.031 179.581 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.464 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.7 tt0 -82.01 109.52 16.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.302 -0.874 . . . . 0.0 109.693 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -107.39 134.57 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.884 . . . . 0.0 109.188 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -84.43 128.93 34.86 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.231 -0.918 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 137.13 -126.24 3.62 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 3.4 ttt180 176.91 -42.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.404 -1.057 . . . . 0.0 109.116 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.99 -36.77 56.17 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.29 -0.881 . . . . 0.0 109.234 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.423 ' HD2' HD11 ' D' ' 348' ' ' LEU . 26.1 mtm-85 -70.35 -33.6 71.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.277 -0.889 . . . . 0.0 108.934 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -66.23 -31.58 72.48 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 17.9 mt-10 -76.01 -37.22 58.68 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.474 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 4.0 mtp -54.75 -52.25 63.11 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.455 ' O ' ' OD1' ' C' ' 345' ' ' ASN . 11.1 m-30 -66.0 -43.95 86.22 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.381 -0.825 . . . . 0.0 109.04 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -43.69 -32.3 0.96 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.326 -0.858 . . . . 0.0 108.817 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.04 -43.7 33.57 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.474 ' HB3' HD13 ' B' ' 344' ' ' LEU . 1.2 mm? -57.49 -64.15 0.99 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.267 -0.896 . . . . 0.0 108.77 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' C' ' 341' ' ' PHE . 26.3 p-10 -58.5 -16.46 15.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 109.571 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 0.2 OUTLIER -67.92 -46.64 70.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.165 -0.959 . . . . 0.0 109.252 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.519 ' CB ' HD22 ' B' ' 348' ' ' LEU . . . -71.55 -45.34 62.58 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.386 -0.821 . . . . 0.0 109.564 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' B' ' 347' ' ' ALA . 66.0 mt -53.71 -48.36 69.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.114 -0.991 . . . . 0.0 109.134 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -60.71 -34.55 74.56 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.539 ' CD1' HD13 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -61.87 -30.44 70.86 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.513 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.531 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 23.1 ttpt -63.68 -40.05 95.85 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.44 -37.44 83.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.341 -0.849 . . . . 0.0 109.223 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.9 -14.94 59.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.918 . . . . 0.0 109.24 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.52 ' NE2' HD11 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -70.1 149.18 47.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 109.456 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 118.037 -0.983 . . . . 0.0 109.347 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -132.4 -170.65 2.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -1.153 . . . . 0.0 109.474 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -103.03 120.6 40.95 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.897 . . . . 0.0 109.492 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 46.6 m-85 -108.58 139.52 43.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.335 -0.853 . . . . 0.0 109.519 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.66 133.22 42.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.217 -0.927 . . . . 0.0 109.618 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.45 HD23 ' ND2' ' C' ' 345' ' ' ASN . 0.3 OUTLIER -117.79 87.03 2.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.341 -0.849 . . . . 0.0 109.032 179.611 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 12.8 tt0 -82.02 109.18 16.12 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.308 -0.87 . . . . 0.0 109.831 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.43 ' CD1' HD11 ' C' ' 330' ' ' LEU . 4.3 mt -106.84 134.65 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -84.58 129.01 34.89 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.875 . . . . 0.0 109.538 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 136.96 -126.57 3.75 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 3.6 ttt180 177.09 -42.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.408 -1.054 . . . . 0.0 109.101 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -77.34 -36.7 53.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.233 -0.917 . . . . 0.0 109.165 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.0 mtm-85 -70.49 -33.38 71.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 108.924 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -66.35 -31.75 72.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.218 -0.926 . . . . 0.0 108.623 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 18.2 mt-10 -75.94 -37.12 59.03 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.474 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.9 mtp -54.8 -52.24 63.28 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.451 ' O ' ' OD1' ' D' ' 345' ' ' ASN . 11.1 m-30 -65.87 -43.94 86.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.459 -0.776 . . . . 0.0 108.985 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -43.95 -31.95 1.01 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' B' ' 340' ' ' MET . 4.0 tt0 -77.34 -43.38 33.17 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 344' ' ' LEU . 1.0 OUTLIER -57.98 -64.01 1.06 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.313 -0.867 . . . . 0.0 108.749 179.488 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.451 ' OD1' ' O ' ' D' ' 341' ' ' PHE . 26.1 p-10 -58.5 -16.15 14.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 109.529 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 0.2 OUTLIER -68.03 -46.29 71.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.925 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.514 ' CB ' HD22 ' A' ' 348' ' ' LEU . . . -71.8 -46.43 58.25 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.265 -0.897 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.423 HD11 ' HD2' ' C' ' 337' ' ' ARG . 66.7 mt -52.58 -48.5 66.17 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.118 -0.989 . . . . 0.0 109.166 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -60.8 -34.6 74.76 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.541 HD13 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -61.47 -30.83 70.85 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.368 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.533 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 22.8 ttpt -63.72 -40.19 96.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.339 -0.851 . . . . 0.0 108.77 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.51 -37.29 83.17 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.333 -0.854 . . . . 0.0 109.075 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.16 -15.01 59.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.211 -0.931 . . . . 0.0 109.227 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.562 ' NE2' HD11 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -70.24 149.13 47.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.186 -0.946 . . . . 0.0 109.504 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.455 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -159.57 -170.63 3.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.167 -1.196 . . . . 0.0 109.619 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -99.37 114.6 27.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.608 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.587 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 84.2 m-85 -110.15 165.19 11.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.072 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.556 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -127.72 132.01 49.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.164 -0.96 . . . . 0.0 109.792 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.542 HD13 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -112.41 94.41 4.91 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 6.1 tt0 -88.94 116.23 27.07 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.273 -0.892 . . . . 0.0 108.999 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.412 HD13 HD21 ' A' ' 330' ' ' LEU . 3.5 mt -118.18 120.38 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.372 -0.83 . . . . 0.0 109.935 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -81.07 90.76 6.02 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 178.68 -151.9 10.85 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -154.55 -46.14 0.09 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.222 -1.164 . . . . 0.0 109.016 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.53 -48.67 31.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.249 -0.907 . . . . 0.0 109.188 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -61.89 -45.4 93.92 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.238 -0.914 . . . . 0.0 108.864 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 44.7 t80 -58.85 -36.57 74.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.281 -0.887 . . . . 0.0 108.948 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.18 -34.4 76.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.053 -1.03 . . . . 0.0 108.86 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.468 ' HE2' HD23 ' C' ' 344' ' ' LEU . 3.6 mtm -59.7 -40.82 89.2 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.903 0.858 . . . . 0.0 109.145 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' B' ' 345' ' ' ASN . 3.7 m-30 -75.98 -30.78 58.71 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.889 0.852 . . . . 0.0 109.366 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.48 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 0.0 OUTLIER -59.83 -40.46 88.56 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.423 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 346' ' ' GLU . 28.3 tt0 -76.56 -50.9 12.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.155 -0.966 . . . . 0.0 109.464 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.483 ' HB3' HD13 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -48.6 -60.35 2.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.36 -0.838 . . . . 0.0 109.399 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 346' ' ' GLU . 43.9 p-10 -66.86 -19.29 65.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.848 . . . . 0.0 110.061 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' A' ' 345' ' ' ASN . 2.4 tt0 -65.83 -51.7 56.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.886 -1.134 . . . . 0.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' D' ' 347' ' ' ALA . . . -67.15 -38.01 84.77 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.268 -0.895 . . . . 0.0 109.525 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.495 ' CD2' ' HB1' ' D' ' 347' ' ' ALA . 92.5 mt -56.57 -49.22 75.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.161 -0.962 . . . . 0.0 108.864 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -64.85 -24.89 67.68 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.616 HD13 ' HG3' ' A' ' 354' ' ' GLN . 0.1 OUTLIER -70.77 -26.09 63.19 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.268 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.56 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 27.9 ttmt -69.06 -45.75 69.56 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.83 -33.1 71.32 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.361 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -82.48 -22.1 35.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 109.813 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.616 ' HG3' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -64.68 167.29 7.52 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.479 -0.763 . . . . 0.0 109.562 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.093 -1.004 . . . . 0.0 109.539 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -160.33 -171.73 3.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -1.116 . . . . 0.0 109.546 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -98.2 115.35 28.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.419 -0.8 . . . . 0.0 109.7 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 83.6 m-85 -111.71 162.89 14.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.873 . . . . 0.0 109.263 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.556 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -124.51 139.05 54.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.269 -0.894 . . . . 0.0 109.478 179.724 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -118.75 84.13 2.13 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.495 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.7 tt0 -79.52 117.24 20.28 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.292 -0.88 . . . . 0.0 109.908 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.405 HD13 HD21 ' B' ' 330' ' ' LEU . 3.5 mt -118.55 122.34 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.352 -0.843 . . . . 0.0 109.155 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -83.6 88.17 7.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.348 -0.845 . . . . 0.0 109.079 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.95 -149.81 8.48 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -155.18 -46.34 0.08 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.341 -1.094 . . . . 0.0 109.129 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.73 -48.48 38.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.152 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -62.27 -46.79 87.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.214 -0.929 . . . . 0.0 109.1 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 45.3 t80 -57.38 -37.29 72.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.245 -0.909 . . . . 0.0 109.002 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -35.94 80.01 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.222 -0.924 . . . . 0.0 108.825 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.9 mtm -59.37 -41.67 89.84 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 345' ' ' ASN . 3.9 m-30 -75.6 -26.7 58.07 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.55 -0.719 . . . . 0.0 109.09 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.0 OUTLIER -64.23 -37.52 87.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.297 -0.877 . . . . 0.0 109.092 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 346' ' ' GLU . 28.9 tt0 -79.04 -50.14 11.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 109.208 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.484 ' CD1' HD13 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -49.36 -59.13 3.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 0.0 109.224 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' B' ' 346' ' ' GLU . 42.5 p-10 -67.93 -17.88 64.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.418 -0.801 . . . . 0.0 110.006 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' B' ' 345' ' ' ASN . 2.4 tt0 -67.89 -52.21 39.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.962 -1.086 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.75 85.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.199 -0.938 . . . . 0.0 109.34 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.478 ' CD2' ' HB1' ' C' ' 347' ' ' ALA . 88.5 mt -57.06 -49.55 75.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.161 -0.962 . . . . 0.0 109.125 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.33 -27.53 69.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.254 -0.904 . . . . 0.0 108.649 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.513 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.1 OUTLIER -67.26 -27.41 67.19 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.292 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.541 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 27.9 ttmt -68.84 -44.78 72.69 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.71 -31.62 70.9 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.517 -0.739 . . . . 0.0 109.389 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.51 -22.91 32.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 0.0 109.516 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.509 ' HG3' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -64.9 169.3 5.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.246 -0.909 . . . . 0.0 109.412 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.52 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.389 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -160.42 -171.62 3.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -1.115 . . . . 0.0 109.64 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.418 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 14.7 m-85 -98.34 115.68 28.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.919 . . . . 0.0 109.65 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.558 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 82.3 m-85 -111.22 164.49 12.82 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.944 . . . . 0.0 109.175 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.53 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -126.6 134.67 50.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.129 -0.982 . . . . 0.0 109.787 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.95 86.36 2.43 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.578 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 4.8 tt0 -81.48 117.55 21.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.878 . . . . 0.0 109.57 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.431 HD13 HD21 ' C' ' 330' ' ' LEU . 3.5 mt -119.28 120.65 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.429 ' HD2' ' OH ' ' D' ' 327' ' ' TYR . 3.9 ttt-85 -81.44 89.37 6.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.259 -0.901 . . . . 0.0 109.341 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.29 -151.25 10.02 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -153.89 -46.52 0.09 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -1.139 . . . . 0.0 109.162 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.25 -48.77 40.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.223 -0.923 . . . . 0.0 109.134 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -62.16 -46.27 89.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.401 -0.812 . . . . 0.0 109.088 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 44.9 t80 -57.77 -37.81 74.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.284 -0.885 . . . . 0.0 108.978 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -35.85 80.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.336 -0.852 . . . . 0.0 108.769 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.5 mtm -59.3 -41.62 89.41 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' D' ' 345' ' ' ASN . 3.8 m-30 -75.55 -26.78 58.27 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.58 -0.7 . . . . 0.0 109.158 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.0 OUTLIER -63.92 -38.13 89.95 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.312 -0.867 . . . . 0.0 109.127 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -78.3 -50.56 11.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.296 -0.877 . . . . 0.0 109.247 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' B' ' 344' ' ' LEU . 0.4 OUTLIER -48.75 -59.31 3.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.261 -0.899 . . . . 0.0 109.374 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.566 ' HB3' ' CE2' ' D' ' 341' ' ' PHE . 45.7 p-10 -68.52 -17.58 64.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.249 -0.907 . . . . 0.0 110.201 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' C' ' 345' ' ' ASN . 2.5 tt0 -68.02 -51.29 48.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.003 -1.06 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.478 ' HB1' ' CD2' ' B' ' 348' ' ' LEU . . . -67.1 -36.11 81.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.325 -0.859 . . . . 0.0 109.386 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' B' ' 344' ' ' LEU . 88.1 mt -59.04 -49.55 77.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.922 . . . . 0.0 109.145 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.96 -27.65 69.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.274 -0.891 . . . . 0.0 108.755 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.541 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -67.27 -27.4 67.16 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.513 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 27.4 ttmt -69.02 -43.9 73.82 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.443 -0.785 . . . . 0.0 108.899 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.5 -31.29 71.28 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.446 -0.784 . . . . 0.0 109.38 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.7 -22.96 31.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.473 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.49 ' HG3' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -64.88 169.4 5.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 0.0 109.524 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.525 -179.912 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -160.07 -171.98 3.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.202 -1.175 . . . . 0.0 109.628 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.429 ' OH ' ' HD2' ' C' ' 333' ' ' ARG . 14.7 m-85 -98.13 115.55 28.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 109.593 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.582 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 82.4 m-85 -111.19 164.36 12.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.29 -0.881 . . . . 0.0 109.141 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.53 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -126.53 134.68 50.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.191 -0.943 . . . . 0.0 109.706 -179.773 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.555 HD13 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.97 86.06 2.38 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.7 tt0 -81.11 117.48 21.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.707 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.434 HD13 HD21 ' D' ' 330' ' ' LEU . 3.5 mt -119.08 120.7 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.351 -0.843 . . . . 0.0 109.554 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.418 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 4.1 ttt-85 -81.69 89.65 6.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.238 -0.914 . . . . 0.0 109.37 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.12 -151.12 9.95 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -153.75 -46.89 0.09 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.324 -1.104 . . . . 0.0 109.12 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.13 -48.86 40.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 0.0 109.11 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -62.02 -46.34 89.63 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.235 -0.915 . . . . 0.0 109.136 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.565 ' CE1' HD13 ' C' ' 330' ' ' LEU . 45.0 t80 -57.65 -37.62 73.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.262 -0.899 . . . . 0.0 108.972 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -35.63 80.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.24 -0.913 . . . . 0.0 108.83 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.439 ' HE2' HD23 ' B' ' 344' ' ' LEU . 4.7 mtm -59.65 -41.63 90.98 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' C' ' 345' ' ' ASN . 3.8 m-30 -75.47 -26.82 58.52 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.0 OUTLIER -63.97 -38.0 89.49 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.303 -0.873 . . . . 0.0 109.179 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' D' ' 346' ' ' GLU . 28.5 tt0 -78.46 -50.27 11.95 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.404 -0.81 . . . . 0.0 109.234 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.483 HD13 ' HB3' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -49.06 -59.51 3.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 0.0 109.298 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' C' ' 341' ' ' PHE . 45.6 p-10 -68.17 -17.41 64.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.222 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.51 ' N ' ' OD1' ' D' ' 345' ' ' ASN . 2.4 tt0 -67.81 -51.76 44.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.954 -1.091 . . . . 0.0 109.268 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' A' ' 348' ' ' LEU . . . -66.74 -37.4 84.57 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.296 -0.877 . . . . 0.0 109.353 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' A' ' 344' ' ' LEU . 88.4 mt -57.69 -49.6 75.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.191 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.02 -28.04 69.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.262 -0.899 . . . . 0.0 108.639 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.56 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -66.94 -27.47 67.5 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.526 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 27.2 ttmt -69.26 -43.83 73.13 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.434 -0.791 . . . . 0.0 108.888 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.52 -31.17 71.17 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.564 -0.71 . . . . 0.0 109.199 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.78 -23.35 31.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.366 -0.834 . . . . 0.0 109.453 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.56 ' NE2' ' CD1' ' A' ' 350' ' ' LEU . 0.0 OUTLIER -64.73 169.51 4.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.135 -0.978 . . . . 0.0 109.498 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.498 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.73 -175.63 5.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.22 -1.165 . . . . 0.0 109.517 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -99.55 118.0 35.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.269 -0.894 . . . . 0.0 109.56 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.579 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 84.0 m-85 -112.72 160.92 17.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.151 -0.968 . . . . 0.0 109.194 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.574 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -137.36 132.62 33.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.186 -0.946 . . . . 0.0 110.151 -178.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.592 ' CD2' ' ND2' ' B' ' 345' ' ' ASN . 0.1 OUTLIER -108.97 96.99 6.7 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.176 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.7 OUTLIER -88.17 108.82 19.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.137 -0.977 . . . . 0.0 108.459 -179.581 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.457 HD12 HD22 ' A' ' 330' ' ' LEU . 2.9 mt -113.77 115.56 50.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.495 -0.753 . . . . 0.0 109.677 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -79.44 99.17 7.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.966 . . . . 0.0 108.674 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 176.08 -128.23 1.34 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 19.9 ttt180 179.74 -54.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.409 -1.054 . . . . 0.0 109.128 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 26.0 pt-20 -70.81 -45.84 63.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.231 -0.918 . . . . 0.0 109.232 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.489 ' N ' ' HG3' ' A' ' 336' ' ' GLU . 8.0 mtm105 -64.04 -44.21 93.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.248 -0.908 . . . . 0.0 108.756 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 61.1 t80 -59.04 -32.36 69.68 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 342' ' ' ARG . 1.5 mt-10 -67.18 -43.0 83.27 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.167 -0.958 . . . . 0.0 108.545 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.482 ' HE1' HD23 ' C' ' 344' ' ' LEU . 4.0 mtp -48.79 -50.09 35.74 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.069 0.938 . . . . 0.0 108.819 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -65.42 -35.07 79.84 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.854 0.835 . . . . 0.0 109.173 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -56.45 -31.73 64.25 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.456 ' HG2' ' HE2' ' C' ' 340' ' ' MET . 0.9 OUTLIER -73.98 -60.96 2.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.753 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.495 ' CD1' HD13 ' D' ' 348' ' ' LEU . 1.5 mm? -54.85 -61.89 2.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.014 -1.054 . . . . 0.0 108.492 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.486 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 11.1 t-20 -44.38 -31.65 1.12 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.641 -0.662 . . . . 0.0 109.268 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 343' ' ' GLU . 0.9 OUTLIER -69.48 -49.14 57.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.226 -0.921 . . . . 0.0 110.175 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.471 ' HA ' HD21 ' A' ' 350' ' ' LEU . . . -61.52 -39.93 92.82 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.112 -0.992 . . . . 0.0 109.695 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' D' ' 344' ' ' LEU . 60.7 mt -60.03 -51.41 69.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -59.05 -25.74 63.99 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.563 HD11 ' NE2' ' D' ' 354' ' ' GLN . 0.1 OUTLIER -74.43 -31.87 62.44 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 120.967 -1.083 . . . . 0.0 108.36 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.529 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 7.7 ttmt -60.07 -38.39 82.73 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -30.39 65.83 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -100.81 53.28 0.86 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.462 -0.774 . . . . 0.0 109.763 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.479 ' NE2' HD11 ' D' ' 350' ' ' LEU . 11.1 mt-30 -96.92 87.31 4.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 109.55 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.568 -179.893 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.95 -177.29 6.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.189 -1.183 . . . . 0.0 109.537 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -97.86 118.93 35.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.389 -0.819 . . . . 0.0 109.551 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.553 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 83.4 m-85 -114.58 158.9 21.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -0.897 . . . . 0.0 109.312 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.574 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.3 OUTLIER -134.82 138.13 43.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 109.991 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -113.87 89.55 3.12 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.016 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -80.91 106.95 13.31 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.278 -0.889 . . . . 0.0 109.668 -179.378 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.436 HD12 HD21 ' B' ' 330' ' ' LEU . 2.8 mp -111.47 118.3 57.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.391 -0.818 . . . . 0.0 109.095 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -83.03 96.6 8.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 108.86 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 177.75 -127.39 1.18 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 21.1 ttt180 -179.72 -54.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.322 -1.105 . . . . 0.0 109.204 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' B' ' 337' ' ' ARG . 26.0 pt-20 -69.77 -45.53 67.82 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.253 -0.904 . . . . 0.0 109.203 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.485 ' N ' ' CG ' ' B' ' 336' ' ' GLU . 8.0 mtm105 -64.6 -44.97 88.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.279 -0.888 . . . . 0.0 109.047 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 61.1 t80 -58.22 -32.37 68.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.199 -0.938 . . . . 0.0 108.634 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' B' ' 342' ' ' ARG . 1.4 mt-10 -67.23 -44.26 79.94 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.48 ' HE1' HD23 ' D' ' 344' ' ' LEU . 4.4 mtp -48.87 -50.39 35.03 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -65.35 -31.92 73.29 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -60.59 -27.76 67.97 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.514 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.8 OUTLIER -76.12 -63.42 1.32 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.446 -0.784 . . . . 0.0 109.074 179.583 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.506 ' CD1' HD13 ' C' ' 348' ' ' LEU . 1.7 mm? -51.95 -65.58 0.53 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.085 -1.009 . . . . 0.0 108.287 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.592 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 8.8 t-20 -40.65 -31.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.596 -0.69 . . . . 0.0 109.615 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 0.9 OUTLIER -71.42 -49.07 45.42 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.34 -0.85 . . . . 0.0 109.803 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.446 ' HA ' HD21 ' B' ' 350' ' ' LEU . . . -61.16 -39.32 89.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.146 -0.971 . . . . 0.0 109.611 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.451 HD22 ' HB1' ' C' ' 347' ' ' ALA . 55.9 mt -61.81 -50.75 71.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.894 . . . . 0.0 108.67 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.23 -27.18 65.51 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.525 HD11 ' NE2' ' C' ' 354' ' ' GLN . 0.1 OUTLIER -72.29 -34.49 68.21 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 7.7 ttmt -58.17 -38.12 76.05 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -28.9 63.71 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.08 53.11 0.81 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.452 -0.78 . . . . 0.0 109.493 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.496 ' NE2' HD11 ' C' ' 350' ' ' LEU . 13.4 mt-30 -96.62 88.09 4.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -0.93 . . . . 0.0 109.527 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.548 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -153.6 -175.94 5.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -1.133 . . . . 0.0 109.563 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -99.5 119.26 37.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.575 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 82.2 m-85 -114.16 159.9 19.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.18 -0.95 . . . . 0.0 109.171 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.478 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -136.24 135.49 39.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.098 -1.001 . . . . 0.0 110.171 -179.226 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.534 ' CD2' ' ND2' ' D' ' 345' ' ' ASN . 0.1 OUTLIER -111.67 90.29 3.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.326 -0.859 . . . . 0.0 108.903 179.142 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.35 107.59 14.26 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.242 -0.911 . . . . 0.0 109.599 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.453 HD12 HD22 ' C' ' 330' ' ' LEU . 2.8 mp -112.58 116.76 53.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.432 -0.792 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -80.92 97.33 7.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.169 -0.957 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.42 -128.15 1.32 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -178.67 -53.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.22 -1.165 . . . . 0.0 109.284 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' C' ' 337' ' ' ARG . 26.1 pt-20 -70.23 -45.67 66.04 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 109.159 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.5 ' N ' ' CG ' ' C' ' 336' ' ' GLU . 7.8 mtm105 -64.47 -44.64 90.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.202 -0.936 . . . . 0.0 108.912 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 60.9 t80 -58.61 -32.54 69.09 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' C' ' 342' ' ' ARG . 1.4 mt-10 -67.07 -43.73 81.89 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.484 ' HE1' HD23 ' A' ' 344' ' ' LEU . 4.4 mtp -49.28 -49.9 41.5 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -65.62 -31.73 72.91 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -60.49 -27.11 67.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.176 -0.953 . . . . 0.0 108.504 179.053 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.7 OUTLIER -77.17 -63.35 1.39 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.383 -0.823 . . . . 0.0 109.009 179.378 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.482 HD23 ' HE1' ' A' ' 340' ' ' MET . 1.4 mm? -51.92 -65.47 0.55 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.54 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 10.2 t-20 -41.49 -29.89 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.529 -0.732 . . . . 0.0 109.755 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' C' ' 343' ' ' GLU . 0.9 OUTLIER -72.88 -48.22 39.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 109.912 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.467 ' HA ' HD21 ' C' ' 350' ' ' LEU . . . -62.33 -35.7 79.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.0 109.475 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' B' ' 344' ' ' LEU . 58.9 mt -65.03 -50.48 66.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.118 -0.989 . . . . 0.0 108.697 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.28 -27.41 65.81 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -71.94 -34.24 68.88 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.352 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.508 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 7.7 ttmt -58.42 -37.56 75.61 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -28.62 62.76 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.2 53.04 0.8 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.5 -0.75 . . . . 0.0 109.388 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.525 ' NE2' HD11 ' B' ' 350' ' ' LEU . 13.0 mt-30 -96.42 88.18 4.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.216 -0.928 . . . . 0.0 109.582 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.495 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -153.25 -176.08 5.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.294 -1.121 . . . . 0.0 109.566 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -99.39 118.71 36.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.424 -0.798 . . . . 0.0 109.49 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 83.7 m-85 -113.7 159.66 19.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.905 . . . . 0.0 109.248 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.478 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -136.24 135.53 39.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.028 -1.045 . . . . 0.0 110.102 -179.23 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.54 ' CD2' ' ND2' ' C' ' 345' ' ' ASN . 0.1 OUTLIER -111.76 90.18 3.27 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.351 -0.843 . . . . 0.0 108.885 179.155 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.23 107.76 14.29 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.258 -0.901 . . . . 0.0 109.533 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.442 HD12 HD22 ' D' ' 330' ' ' LEU . 2.8 mp -112.58 116.9 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.344 -0.847 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -81.22 97.72 7.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.169 -0.957 . . . . 0.0 109.524 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.16 -127.99 1.31 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -178.6 -53.84 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.177 -1.19 . . . . 0.0 109.239 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' D' ' 337' ' ' ARG . 26.1 pt-20 -70.03 -45.61 66.82 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.896 . . . . 0.0 109.184 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.494 ' N ' ' CG ' ' D' ' 336' ' ' GLU . 7.8 mtm105 -64.83 -44.28 90.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.88 . . . . 0.0 108.967 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 60.5 t80 -58.85 -32.2 69.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.139 -0.976 . . . . 0.0 108.672 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' D' ' 342' ' ' ARG . 1.4 mt-10 -67.23 -43.46 81.92 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.458 ' HE1' HD23 ' B' ' 344' ' ' LEU . 4.4 mtp -49.53 -49.91 44.07 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -65.8 -31.12 71.91 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -61.17 -26.77 67.94 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.465 ' HG2' ' HE2' ' B' ' 340' ' ' MET . 0.8 OUTLIER -77.39 -63.13 1.44 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.422 -0.799 . . . . 0.0 109.044 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.484 ' HG ' ' HG ' ' A' ' 344' ' ' LEU . 1.4 mm? -52.41 -65.05 0.63 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.083 -1.011 . . . . 0.0 108.326 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.534 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 10.5 t-20 -41.68 -29.74 0.2 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.524 -0.735 . . . . 0.0 109.683 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' D' ' 343' ' ' GLU . 0.9 OUTLIER -72.56 -48.54 39.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 109.775 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 348' ' ' LEU . . . -61.27 -38.75 87.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.183 -0.948 . . . . 0.0 109.46 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 344' ' ' LEU . 56.7 mt -62.4 -50.55 71.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.159 -0.963 . . . . 0.0 108.779 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.48 -27.39 66.08 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.529 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -71.96 -34.56 69.07 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.359 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 7.7 ttmt -58.23 -38.03 76.04 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -28.66 63.33 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.31 53.12 0.8 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.433 -0.792 . . . . 0.0 109.441 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.563 ' NE2' HD11 ' A' ' 350' ' ' LEU . 16.3 mt-30 -96.86 88.86 4.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.119 -0.988 . . . . 0.0 109.512 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.552 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.05 -170.11 2.4 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.323 -1.104 . . . . 0.0 109.279 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 5.7 m-85 -103.28 109.11 20.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.0 109.372 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.537 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 27.1 m-85 -102.38 163.1 12.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.153 -0.967 . . . . 0.0 108.888 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.572 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -127.25 137.73 52.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.703 -179.723 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.595 ' CD2' ' ND2' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -117.97 97.37 5.78 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 178.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 52.8 mt-30 -87.89 109.43 19.77 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.408 -0.917 . . . . 0.0 108.572 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -101.85 118.03 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.437 -0.789 . . . . 0.0 109.61 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 5.3 mtm180 -78.29 91.47 4.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 108.814 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.75 -143.73 8.54 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -159.49 -57.3 0.06 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.253 -1.145 . . . . 0.0 108.786 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.36 -48.32 79.33 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.283 -0.886 . . . . 0.0 108.868 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -39.24 82.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 0.0 108.894 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 88.7 t80 -60.37 -36.15 77.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.917 . . . . 0.0 109.109 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.11 -37.4 72.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.157 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.538 ' CE ' HD23 ' C' ' 344' ' ' LEU . 2.0 mtp -57.61 -47.22 82.78 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 122.002 0.906 . . . . 0.0 109.302 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -70.21 -33.82 72.14 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 121.745 0.783 . . . . 0.0 109.079 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -35.67 63.66 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.462 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 19.0 tp10 -72.9 -60.88 2.02 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.403 -0.811 . . . . 0.0 109.791 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.538 HD23 ' CE ' ' C' ' 340' ' ' MET . 0.9 OUTLIER -52.06 -62.8 1.41 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.691 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.518 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 9.4 t-20 -44.77 -33.48 1.91 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.635 -0.666 . . . . 0.0 109.977 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.73 -48.35 64.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.969 . . . . 0.0 110.214 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 350' ' ' LEU . . . -61.67 -46.11 91.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.053 -1.029 . . . . 0.0 109.841 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -54.66 -54.3 43.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.183 -0.948 . . . . 0.0 109.055 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -25.32 64.59 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.192 -0.943 . . . . 0.0 108.901 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.544 HD11 ' NE2' ' D' ' 354' ' ' GLN . 0.1 OUTLIER -73.94 -30.55 62.61 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.026 -1.046 . . . . 0.0 108.457 179.605 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 7.8 tttt -62.41 -39.58 93.73 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.46 -27.61 62.41 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.248 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.75 23.86 3.9 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.244 -0.91 . . . . 0.0 109.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.511 ' HG3' HD12 ' D' ' 350' ' ' LEU . 3.6 mt-30 -88.37 6.74 35.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.214 -0.929 . . . . 0.0 109.764 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.583 -179.824 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.18 -169.39 2.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.289 -1.124 . . . . 0.0 109.531 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 6.0 m-85 -104.21 107.43 18.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.361 -0.837 . . . . 0.0 109.603 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.516 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 27.5 m-85 -101.85 161.05 13.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -0.91 . . . . 0.0 109.292 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.572 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -124.7 144.12 50.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.31 -0.869 . . . . 0.0 109.499 179.661 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.553 ' CB ' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -123.89 89.67 3.13 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 53.4 mt-30 -80.31 108.36 13.86 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.443 -0.903 . . . . 0.0 109.846 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -100.57 119.32 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.372 -0.83 . . . . 0.0 109.178 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 5.3 mtm180 -80.01 89.3 5.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.329 -0.857 . . . . 0.0 109.079 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.47 -141.87 7.06 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -160.02 -57.51 0.06 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.331 -1.099 . . . . 0.0 108.889 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.93 -48.06 79.18 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.327 -0.858 . . . . 0.0 108.836 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -40.48 87.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -0.873 . . . . 0.0 109.153 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 88.4 t80 -59.19 -36.11 74.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.269 -0.895 . . . . 0.0 109.088 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.32 -38.06 71.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.339 -0.851 . . . . 0.0 108.92 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.526 ' CE ' HD23 ' D' ' 344' ' ' LEU . 2.0 mtp -57.76 -47.06 83.59 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -70.88 -30.95 67.47 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.506 -0.746 . . . . 0.0 109.008 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -33.35 68.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.09 -1.006 . . . . 0.0 108.437 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 19.4 tp10 -73.23 -64.76 0.91 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.482 -0.761 . . . . 0.0 109.132 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.523 HD23 ' CE ' ' D' ' 340' ' ' MET . 1.2 mm? -47.71 -68.13 0.21 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.085 -1.009 . . . . 0.0 108.382 179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 7.6 t-20 -39.42 -34.79 0.23 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.636 -0.665 . . . . 0.0 110.135 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' B' ' 343' ' ' GLU . 7.6 tp10 -69.03 -48.71 62.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.217 -0.927 . . . . 0.0 110.164 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.479 ' HA ' HD21 ' B' ' 350' ' ' LEU . . . -61.29 -45.02 96.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.085 -1.009 . . . . 0.0 109.72 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.6 mt -56.4 -54.71 42.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.271 -0.893 . . . . 0.0 109.272 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.18 -26.84 65.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.246 -0.909 . . . . 0.0 109.151 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.529 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.1 OUTLIER -71.55 -32.69 68.41 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 8.0 tttt -60.69 -39.36 88.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.336 -0.853 . . . . 0.0 108.82 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -25.65 60.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.501 -0.75 . . . . 0.0 109.23 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -94.24 24.56 4.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.0 109.579 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.493 ' NE2' HD11 ' C' ' 350' ' ' LEU . 4.1 mt-30 -90.04 8.47 32.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.21 -0.931 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.442 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.16 -168.45 1.89 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.34 -1.094 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.58 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 5.8 m-85 -104.9 107.67 18.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 109.602 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.542 ' HB3' ' CD1' ' D' ' 338' ' ' PHE . 27.7 m-85 -101.66 161.23 13.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.162 -0.961 . . . . 0.0 109.228 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.477 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -125.45 140.83 52.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.21 -0.931 . . . . 0.0 109.78 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.54 ' CD2' ' ND2' ' D' ' 345' ' ' ASN . 0.2 OUTLIER -121.46 89.66 3.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.372 -0.83 . . . . 0.0 109.028 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 51.0 mt-30 -80.13 109.0 14.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.176 -0.953 . . . . 0.0 109.587 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.4 118.78 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.32 -0.863 . . . . 0.0 109.34 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 5.3 mtm180 -78.7 90.54 4.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.228 -0.92 . . . . 0.0 109.403 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.42 -142.59 7.74 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -158.83 -57.24 0.07 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.268 -1.136 . . . . 0.0 109.041 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.06 -48.13 79.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 0.0 108.886 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -39.57 84.99 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.274 -0.891 . . . . 0.0 109.019 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' D' ' 328' ' ' PHE . 88.4 t80 -59.69 -36.76 77.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.913 . . . . 0.0 109.105 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.92 -37.97 72.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 0.0 108.978 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.538 ' CE ' HD23 ' A' ' 344' ' ' LEU . 2.1 mtp -57.6 -46.85 83.54 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.832 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -71.0 -31.27 67.75 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.461 -0.774 . . . . 0.0 109.062 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -33.19 67.07 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.096 -1.002 . . . . 0.0 108.574 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.458 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 19.0 tp10 -73.85 -64.46 1.0 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.338 -0.851 . . . . 0.0 109.052 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.538 HD23 ' CE ' ' A' ' 340' ' ' MET . 0.8 OUTLIER -47.9 -68.04 0.22 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.077 -1.015 . . . . 0.0 108.4 179.505 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.549 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 8.8 t-20 -40.11 -34.17 0.28 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.635 -0.666 . . . . 0.0 110.267 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' C' ' 343' ' ' GLU . 7.3 tp10 -69.84 -48.53 58.57 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.161 -0.962 . . . . 0.0 110.219 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.469 ' HA ' HD21 ' C' ' 350' ' ' LEU . . . -61.54 -42.17 98.43 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.142 -0.974 . . . . 0.0 109.566 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.4 mt -59.2 -54.56 45.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.111 -0.993 . . . . 0.0 109.393 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.02 -26.56 64.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.241 -0.912 . . . . 0.0 109.252 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.539 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -71.7 -32.88 68.3 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.398 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.529 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 7.8 tttt -60.48 -39.11 86.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.377 -0.827 . . . . 0.0 108.892 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -25.67 60.55 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.45 -0.781 . . . . 0.0 109.282 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -94.27 24.72 4.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.344 -0.847 . . . . 0.0 109.582 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.514 ' NE2' HD11 ' B' ' 350' ' ' LEU . 4.0 mt-30 -89.97 7.96 34.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.18 -0.95 . . . . 0.0 109.663 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.412 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.07 -168.61 1.95 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -1.164 . . . . 0.0 109.512 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 5.6 m-85 -104.8 107.53 18.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.252 -0.905 . . . . 0.0 109.556 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.57 ' HB3' ' CD1' ' C' ' 338' ' ' PHE . 27.8 m-85 -101.46 161.11 13.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.202 -0.936 . . . . 0.0 109.282 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.477 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -125.25 140.99 52.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.244 -0.91 . . . . 0.0 109.718 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.549 ' CD2' ' ND2' ' C' ' 345' ' ' ASN . 0.2 OUTLIER -121.6 89.82 3.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.362 -0.837 . . . . 0.0 108.94 179.594 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 51.2 mt-30 -80.24 108.94 14.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -0.916 . . . . 0.0 109.742 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.12 118.89 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.91 . . . . 0.0 109.368 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.58 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 5.3 mtm180 -79.0 90.76 4.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.227 -0.921 . . . . 0.0 109.444 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.16 -142.78 7.89 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -158.51 -57.25 0.07 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -1.133 . . . . 0.0 108.982 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.95 -48.46 78.28 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.215 -0.928 . . . . 0.0 108.957 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -39.5 83.39 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 0.0 109.074 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' C' ' 328' ' ' PHE . 88.0 t80 -59.67 -37.02 77.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 109.142 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.8 -37.86 73.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.317 -0.864 . . . . 0.0 108.916 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.523 ' CE ' HD23 ' B' ' 344' ' ' LEU . 2.1 mtp -57.6 -47.1 83.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.39 -0.819 . . . . 0.0 108.834 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -70.86 -30.54 66.97 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.483 -0.761 . . . . 0.0 109.099 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -32.89 68.31 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.093 -1.005 . . . . 0.0 108.572 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 19.5 tp10 -73.65 -64.41 1.0 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.413 -0.804 . . . . 0.0 109.124 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.526 HD23 ' CE ' ' B' ' 340' ' ' MET . 0.9 OUTLIER -48.37 -67.53 0.26 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.025 -1.047 . . . . 0.0 108.512 179.486 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.54 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 8.7 t-20 -40.43 -33.6 0.27 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.607 -0.683 . . . . 0.0 110.162 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' D' ' 343' ' ' GLU . 7.6 tp10 -69.85 -48.76 57.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.191 -0.943 . . . . 0.0 110.128 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.486 ' HA ' HD21 ' D' ' 350' ' ' LEU . . . -60.67 -44.85 95.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.119 -0.988 . . . . 0.0 109.523 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.6 mt -56.93 -55.03 39.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.98 -26.95 64.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.207 -0.933 . . . . 0.0 109.223 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -71.44 -32.84 68.81 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.402 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.529 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 8.0 tttt -60.71 -39.08 87.23 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.357 -0.839 . . . . 0.0 108.962 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -25.25 60.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.387 -0.821 . . . . 0.0 109.17 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -94.74 24.31 4.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.346 -0.846 . . . . 0.0 109.631 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.544 ' NE2' HD11 ' A' ' 350' ' ' LEU . 3.9 mt-30 -89.77 8.65 30.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.126 -0.984 . . . . 0.0 109.537 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.476 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 328' ' ' PHE . 1.4 mm-40 -105.56 170.16 8.05 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -1.119 . . . . 0.0 109.411 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' OE1' ' B' ' 331' ' ' GLN . 9.2 m-85 -99.91 115.04 28.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.185 -0.947 . . . . 0.0 109.563 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 326' ' ' GLU . 99.0 m-85 -115.24 152.57 32.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.266 -0.896 . . . . 0.0 109.258 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.495 HG23 HG23 ' B' ' 329' ' ' THR . 0.2 OUTLIER -117.79 124.56 48.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.138 -0.976 . . . . 0.0 109.597 -179.707 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.488 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.3 OUTLIER -104.46 93.96 5.07 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 6.7 tt0 -88.6 116.27 26.72 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.001 -1.062 . . . . 0.0 109.084 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -118.92 129.46 75.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.385 -0.822 . . . . 0.0 109.767 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.9 ttp-105 -88.13 94.79 9.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.36 -0.837 . . . . 0.0 108.981 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.53 -138.66 3.38 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -168.98 -48.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.37 -1.076 . . . . 0.0 108.986 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.61 -41.47 45.9 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.228 -0.92 . . . . 0.0 109.168 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.425 ' HD2' HD11 ' B' ' 348' ' ' LEU . 4.4 mtm-85 -66.74 -40.33 88.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 0.0 108.906 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.482 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 90.1 t80 -62.01 -38.79 89.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.313 -0.867 . . . . 0.0 109.05 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.81 -44.27 86.15 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.158 -0.964 . . . . 0.0 109.048 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.1 mtp -51.56 -53.0 42.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 109.586 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 11.7 m-85 -62.4 -33.67 75.22 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.829 0.823 . . . . 0.0 109.27 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -34.05 72.78 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.96 -52.66 16.05 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.153 -0.967 . . . . 0.0 109.507 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.543 ' HG ' ' HG ' ' D' ' 344' ' ' LEU . 1.7 mm? -52.62 -48.37 66.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.15 -0.969 . . . . 0.0 109.243 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.541 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 3.4 m-20 -65.5 -25.73 67.6 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.382 -0.824 . . . . 0.0 109.639 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.45 -45.59 79.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.856 . . . . 0.0 109.653 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' D' ' 347' ' ' ALA . . . -69.72 -43.61 72.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 0.0 109.603 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.455 HD22 ' HB1' ' D' ' 347' ' ' ALA . 87.9 mt -55.21 -52.3 63.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.201 -0.937 . . . . 0.0 109.0 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.45 -28.35 69.21 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.295 -0.878 . . . . 0.0 108.819 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.561 HD11 ' NE2' ' D' ' 354' ' ' GLN . 0.2 OUTLIER -69.76 -27.73 65.18 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 121.048 -1.032 . . . . 0.0 108.255 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.52 ' CB ' HD23 ' D' ' 350' ' ' LEU . 11.7 tttm -67.94 -39.8 83.4 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.24 -44.27 95.36 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.96 -15.01 62.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.422 -0.799 . . . . 0.0 109.235 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.527 ' HG3' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -72.94 125.65 28.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.524 -0.735 . . . . 0.0 109.452 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 109.536 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.441 ' HB2' ' CE2' ' B' ' 328' ' ' PHE . 1.5 mm-40 -105.89 169.91 8.21 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.281 -1.129 . . . . 0.0 109.533 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -99.8 115.77 30.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.395 -0.816 . . . . 0.0 109.488 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' B' ' 326' ' ' GLU . 99.1 m-85 -116.41 151.9 35.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.483 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.495 HG23 HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -116.19 131.1 57.04 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.219 -0.925 . . . . 0.0 109.163 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.482 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.3 OUTLIER -110.99 82.28 1.57 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -0.817 . . . . 0.0 108.855 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 7.8 tt0 -77.93 117.82 19.64 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.253 -0.904 . . . . 0.0 110.015 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.22 131.12 73.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.379 -0.826 . . . . 0.0 109.015 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' B' ' 333' ' ' ARG . 27.9 ttp-105 -90.43 92.3 8.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.301 -0.875 . . . . 0.0 109.205 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.93 -137.94 2.93 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.336 -1.505 . . . . 0.0 109.336 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -168.96 -48.03 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -1.089 . . . . 0.0 109.141 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -76.1 -41.06 51.5 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.348 -0.845 . . . . 0.0 109.19 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -66.78 -42.09 86.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.234 -0.916 . . . . 0.0 109.227 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.488 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 90.9 t80 -60.58 -39.61 88.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.229 -0.919 . . . . 0.0 109.25 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.9 -46.64 80.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.159 -0.963 . . . . 0.0 108.948 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.9 mtp -50.58 -54.75 20.17 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.443 -0.785 . . . . 0.0 108.899 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.541 ' CE2' ' ND2' ' A' ' 345' ' ' ASN . 15.5 m-85 -61.29 -29.77 70.07 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -0.809 . . . . 0.0 109.209 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -33.36 75.59 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.23 -0.919 . . . . 0.0 109.048 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.16 -53.29 15.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.295 -0.878 . . . . 0.0 109.568 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.485 ' HG ' ' HG ' ' C' ' 344' ' ' LEU . 1.8 mm? -52.47 -49.53 64.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.116 -0.99 . . . . 0.0 108.929 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.449 ' ND2' ' CE2' ' A' ' 341' ' ' PHE . 4.5 m-20 -63.4 -26.7 68.86 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -0.802 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.65 -45.6 78.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.195 -0.94 . . . . 0.0 109.705 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.454 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . . . -69.97 -41.34 74.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.157 -0.964 . . . . 0.0 109.653 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.463 HD22 ' HB1' ' C' ' 347' ' ' ALA . 91.9 mt -57.09 -53.07 62.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 109.359 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.14 -33.47 72.21 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.36 -0.837 . . . . 0.0 108.874 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.527 ' CD1' HD13 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.22 -30.68 71.78 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.528 ' CB ' HD23 ' C' ' 350' ' ' LEU . 11.6 tttm -66.17 -40.16 90.29 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.16 -43.49 95.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.408 -0.808 . . . . 0.0 108.846 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.3 -14.98 61.89 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.393 -0.817 . . . . 0.0 109.084 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.487 ' HG3' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -73.49 126.88 31.23 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.425 -0.797 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.57 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.423 ' HB2' ' CE2' ' C' ' 328' ' ' PHE . 1.4 mm-40 -105.89 170.66 7.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -1.104 . . . . 0.0 109.427 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -100.82 115.9 31.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 109.482 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' C' ' 326' ' ' GLU . 99.1 m-85 -115.96 152.56 33.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.484 HG23 HG23 ' D' ' 329' ' ' THR . 0.2 OUTLIER -117.37 126.56 52.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 109.556 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.442 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.3 OUTLIER -106.59 85.45 2.17 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.322 -0.861 . . . . 0.0 109.192 179.754 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.93 117.26 21.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.806 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.74 130.75 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.863 . . . . 0.0 109.176 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.3 ttp-105 -89.41 93.65 9.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.168 -0.957 . . . . 0.0 109.582 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.05 -138.37 3.2 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -168.3 -47.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.323 -1.104 . . . . 0.0 109.115 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -76.34 -41.07 49.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.227 -0.92 . . . . 0.0 109.185 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -66.78 -41.81 87.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.326 -0.859 . . . . 0.0 109.082 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.456 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 89.8 t80 -60.72 -40.7 93.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.275 -0.891 . . . . 0.0 109.147 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.7 -47.18 82.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.259 -0.901 . . . . 0.0 108.949 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.1 mtp -49.89 -53.64 24.62 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.335 -0.853 . . . . 0.0 108.988 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.581 ' CE2' ' ND2' ' D' ' 345' ' ' ASN . 15.6 m-85 -62.36 -29.22 70.31 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.416 -0.803 . . . . 0.0 109.287 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -32.98 74.82 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.333 -0.854 . . . . 0.0 109.14 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.91 -53.5 12.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.3 -0.875 . . . . 0.0 109.582 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.485 ' HG ' ' HG ' ' B' ' 344' ' ' LEU . 1.5 mm? -52.28 -49.25 64.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.2 -0.938 . . . . 0.0 108.955 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.564 ' ND2' ' CE2' ' D' ' 341' ' ' PHE . 3.5 m-20 -64.37 -26.49 68.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.471 -0.768 . . . . 0.0 109.541 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.43 -44.53 78.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.306 -0.871 . . . . 0.0 109.503 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' B' ' 348' ' ' LEU . . . -71.18 -38.36 72.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.258 -0.901 . . . . 0.0 109.609 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.26 -52.64 64.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.022 -1.049 . . . . 0.0 109.308 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.66 -33.49 71.62 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.332 -0.855 . . . . 0.0 109.039 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.528 HD23 ' CB ' ' B' ' 351' ' ' LYS . 0.2 OUTLIER -63.77 -30.38 71.48 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.52 ' CA ' HD23 ' B' ' 350' ' ' LEU . 11.9 tttm -66.14 -39.6 89.96 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.75 -43.53 97.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.311 -0.868 . . . . 0.0 108.859 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.32 -14.45 61.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.382 -0.824 . . . . 0.0 109.185 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.505 ' NE2' HD11 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -74.04 127.56 33.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.337 -0.852 . . . . 0.0 109.424 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.431 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.425 ' HB2' ' CE2' ' D' ' 328' ' ' PHE . 1.5 mm-40 -105.51 170.26 7.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -1.175 . . . . 0.0 109.545 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -100.41 115.7 30.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.23 -0.919 . . . . 0.0 109.579 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' D' ' 326' ' ' GLU . 99.0 m-85 -115.94 152.7 32.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.205 -0.934 . . . . 0.0 109.305 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.484 HG23 HG23 ' C' ' 329' ' ' THR . 0.2 OUTLIER -117.51 126.54 52.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 109.573 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.456 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.3 OUTLIER -106.66 85.59 2.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.337 -0.852 . . . . 0.0 109.169 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -80.68 117.3 21.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.264 -0.897 . . . . 0.0 109.769 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.78 130.96 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.24 -0.912 . . . . 0.0 109.362 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -89.74 93.98 9.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.27 -0.894 . . . . 0.0 109.582 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.72 -138.73 3.44 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -167.82 -47.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.373 -1.075 . . . . 0.0 109.098 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -76.32 -41.39 48.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.288 -0.883 . . . . 0.0 109.195 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -66.56 -41.34 88.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.343 -0.848 . . . . 0.0 109.186 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.442 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 90.5 t80 -61.18 -40.23 93.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.245 -0.91 . . . . 0.0 109.218 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.98 -46.87 82.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.175 -0.953 . . . . 0.0 108.911 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.1 mtp -50.24 -53.86 25.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.345 -0.847 . . . . 0.0 108.916 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.564 ' CE2' ' ND2' ' C' ' 345' ' ' ASN . 14.6 m-85 -61.86 -29.17 70.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.478 -0.764 . . . . 0.0 109.292 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -32.3 73.96 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.405 -0.81 . . . . 0.0 109.185 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.02 -53.34 13.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.317 -0.865 . . . . 0.0 109.506 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.543 ' HG ' ' HG ' ' A' ' 344' ' ' LEU . 1.3 mm? -52.47 -49.72 64.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.145 -0.972 . . . . 0.0 108.979 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.581 ' ND2' ' CE2' ' C' ' 341' ' ' PHE . 3.5 m-20 -63.83 -26.18 68.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.438 -0.789 . . . . 0.0 109.527 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.29 -45.38 76.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.535 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' A' ' 347' ' ' ALA . . . -69.97 -40.49 75.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.898 . . . . 0.0 109.643 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 85.5 mt -58.66 -52.48 65.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.171 -0.956 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.94 -33.79 72.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.251 -0.906 . . . . 0.0 108.901 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -63.18 -30.59 71.71 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.57 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.535 ' CA ' HD23 ' A' ' 350' ' ' LEU . 11.4 tttm -66.28 -39.77 89.61 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.437 -0.789 . . . . 0.0 108.908 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.43 -43.04 97.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.337 -0.852 . . . . 0.0 108.752 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -15.19 61.62 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.338 -0.851 . . . . 0.0 109.225 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.561 ' NE2' HD11 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -73.75 127.52 33.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.366 -0.834 . . . . 0.0 109.378 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.462 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -131.64 -167.31 1.84 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.329 -1.101 . . . . 0.0 109.494 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' CD ' ' B' ' 333' ' ' ARG . 13.8 m-85 -110.21 109.55 20.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 0.0 109.523 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.562 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 32.8 m-85 -96.59 176.26 6.09 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.226 -0.921 . . . . 0.0 109.096 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.606 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -133.3 133.96 43.25 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.306 -0.871 . . . . 0.0 109.571 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.549 ' HB3' ' CB ' ' B' ' 330' ' ' LEU . 0.2 OUTLIER -116.2 96.5 5.58 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.439 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.3 mt-30 -88.62 111.82 22.35 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.243 -0.911 . . . . 0.0 108.782 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.81 136.63 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.378 -0.827 . . . . 0.0 109.851 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.441 ' CD ' ' CZ ' ' B' ' 327' ' ' TYR . 1.2 ttp85 -95.14 130.54 41.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.358 -0.839 . . . . 0.0 109.017 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 136.6 -124.59 3.2 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 0.6 OUTLIER 178.09 -52.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.32 -1.106 . . . . 0.0 109.135 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -66.81 -50.3 63.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 0.0 108.999 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.48 ' HD3' HD23 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -56.54 -43.01 79.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.21 -0.931 . . . . 0.0 108.866 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 75.4 t80 -58.77 -37.07 75.45 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.314 -0.866 . . . . 0.0 108.993 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 10.2 mt-10 -62.5 -40.81 97.89 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.262 -0.899 . . . . 0.0 108.802 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.5 ' HE1' HD23 ' C' ' 344' ' ' LEU . 8.6 mtm -58.45 -50.9 72.03 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.79 0.805 . . . . 0.0 109.31 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 345' ' ' ASN . 3.4 m-85 -62.73 -27.81 69.53 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.764 0.792 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -68.05 -30.83 70.14 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.76 -55.92 5.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.433 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.491 ' HB3' HD13 ' D' ' 344' ' ' LEU . 1.0 OUTLIER -54.57 -44.43 72.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 0.0 108.761 179.613 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 341' ' ' PHE . 8.8 t-20 -64.95 -28.81 69.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.603 -0.686 . . . . 0.0 109.227 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.19 -45.73 69.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.565 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.407 ' HA ' HD22 ' A' ' 350' ' ' LEU . . . -64.86 -47.66 77.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.089 -1.007 . . . . 0.0 109.564 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.449 HD23 ' HD3' ' B' ' 337' ' ' ARG . 22.5 mt -54.24 -55.41 28.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.0 108.526 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -56.83 -26.77 59.01 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.553 HD11 ' NE2' ' D' ' 354' ' ' GLN . 0.1 OUTLIER -68.5 -37.0 79.7 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.544 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 15.8 ttpp -57.72 -40.75 80.31 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -29.85 69.02 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.445 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -84.67 -9.79 57.91 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.204 -0.935 . . . . 0.0 109.857 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 351' ' ' LYS . 5.2 mt-30 -54.24 -60.74 2.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.32 -0.863 . . . . 0.0 109.491 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.629 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -131.57 -166.42 1.71 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.249 -1.148 . . . . 0.0 109.507 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.441 ' CZ ' ' CD ' ' A' ' 333' ' ' ARG . 13.6 m-85 -110.92 108.9 18.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -0.922 . . . . 0.0 109.63 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 34.1 m-85 -97.8 169.85 9.38 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.211 -0.931 . . . . 0.0 109.37 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.606 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.3 OUTLIER -126.06 141.3 52.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.442 -0.786 . . . . 0.0 109.777 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.549 ' CB ' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -123.29 87.93 2.83 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.425 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 2.8 mt-30 -80.77 112.72 18.42 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.18 -0.95 . . . . 0.0 109.708 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.64 136.35 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 109.556 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.456 ' CD ' ' CZ ' ' A' ' 327' ' ' TYR . 1.1 ttp85 -94.84 130.32 41.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.288 -0.883 . . . . 0.0 109.15 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 136.48 -124.4 3.17 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 0.6 OUTLIER 178.36 -52.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.245 -1.15 . . . . 0.0 109.222 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.41 -50.21 64.18 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.232 -0.917 . . . . 0.0 109.071 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.449 ' HD3' HD23 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -56.32 -44.62 80.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -0.918 . . . . 0.0 109.047 179.575 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 74.7 t80 -57.45 -36.94 72.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 108.962 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 9.0 mt-10 -62.6 -42.2 99.43 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.461 ' HE1' HD23 ' D' ' 344' ' ' LEU . 10.2 mtm -58.45 -51.84 68.16 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.528 ' O ' ' HB2' ' B' ' 345' ' ' ASN . 3.3 m-85 -61.67 -25.31 67.31 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.389 -0.819 . . . . 0.0 109.07 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -71.12 -28.34 64.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.249 -0.907 . . . . 0.0 109.038 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.99 -55.51 5.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.362 -0.836 . . . . 0.0 109.259 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.474 ' HB3' HD13 ' C' ' 344' ' ' LEU . 1.1 mm? -55.21 -44.35 75.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.144 -0.972 . . . . 0.0 108.681 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.528 ' ND2' HD22 ' A' ' 330' ' ' LEU . 7.5 t-20 -64.29 -28.86 70.01 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.13 -45.54 66.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 0.0 109.575 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' B' ' 350' ' ' LEU . . . -64.78 -47.25 78.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.0 109.267 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.48 HD23 ' HD3' ' A' ' 337' ' ' ARG . 20.9 mt -54.96 -55.9 25.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 108.783 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -56.86 -27.09 59.92 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' C' ' 351' ' ' LYS . 0.1 OUTLIER -67.35 -38.48 84.89 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.52 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.545 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 15.8 ttpp -56.42 -39.85 73.74 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -28.41 66.38 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.47 -0.768 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.45 -10.01 56.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.333 -0.854 . . . . 0.0 109.633 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.454 ' NE2' HD11 ' C' ' 350' ' ' LEU . 6.4 mt-30 -54.78 -60.53 3.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.543 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 117.982 -1.008 . . . . 0.0 109.551 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -131.73 -166.29 1.7 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.284 -1.127 . . . . 0.0 109.493 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.522 ' CZ ' ' CD ' ' D' ' 333' ' ' ARG . 13.7 m-85 -111.2 109.12 19.01 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.2 -0.937 . . . . 0.0 109.519 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 33.5 m-85 -96.57 174.29 6.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 109.412 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.572 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -130.86 136.43 48.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.187 -0.946 . . . . 0.0 109.711 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.551 HD11 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -119.2 89.42 3.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.284 -0.885 . . . . 0.0 108.807 179.656 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.1 mt-30 -82.27 112.22 19.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.205 -0.935 . . . . 0.0 109.714 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.48 136.85 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.515 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.555 ' CD ' ' CZ ' ' D' ' 327' ' ' TYR . 1.3 ttp85 -95.16 130.14 41.99 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.307 -0.871 . . . . 0.0 109.443 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 136.36 -124.1 3.1 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 0.7 OUTLIER 178.51 -52.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -1.122 . . . . 0.0 109.307 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.35 -50.56 63.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.165 -0.959 . . . . 0.0 109.005 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.422 ' HD3' HD23 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -56.21 -43.7 78.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -0.912 . . . . 0.0 108.943 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 75.8 t80 -57.92 -37.68 74.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.423 -0.798 . . . . 0.0 109.054 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 9.2 mt-10 -61.87 -41.88 98.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.399 -0.813 . . . . 0.0 108.88 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.461 ' HE1' HD23 ' A' ' 344' ' ' LEU . 10.1 mtm -58.62 -51.63 69.09 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.482 ' O ' ' HB2' ' C' ' 345' ' ' ASN . 3.3 m-85 -61.98 -24.49 67.05 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.485 -0.759 . . . . 0.0 109.199 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -71.78 -28.18 63.45 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.338 -0.851 . . . . 0.0 108.812 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -78.68 -55.39 5.22 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.425 -0.797 . . . . 0.0 109.236 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.5 HD23 ' HE1' ' A' ' 340' ' ' MET . 1.0 OUTLIER -55.09 -44.06 74.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.115 -0.99 . . . . 0.0 108.622 179.423 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' C' ' 341' ' ' PHE . 8.9 t-20 -65.47 -27.85 68.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.479 -0.763 . . . . 0.0 109.449 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.75 -45.26 65.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 0.0 109.447 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.83 83.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.297 -0.877 . . . . 0.0 109.194 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.413 HD23 ' HD3' ' D' ' 337' ' ' ARG . 21.5 mt -56.28 -55.84 28.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.935 . . . . 0.0 108.759 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.6 -27.26 57.67 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.545 ' CD2' ' HB2' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -67.29 -38.44 85.05 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.521 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 15.7 ttpp -56.2 -40.12 73.52 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -28.28 66.43 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.593 -0.692 . . . . 0.0 109.488 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.49 -9.84 56.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 0.0 109.578 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.528 ' NE2' HD11 ' B' ' 350' ' ' LEU . 6.7 mt-30 -54.95 -60.84 2.81 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.234 -0.916 . . . . 0.0 109.547 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.484 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -131.51 -166.21 1.68 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -1.137 . . . . 0.0 109.498 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.555 ' CZ ' ' CD ' ' C' ' 333' ' ' ARG . 13.6 m-85 -111.38 109.62 19.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.219 -0.926 . . . . 0.0 109.485 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.579 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 33.6 m-85 -97.17 174.0 6.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.156 -0.965 . . . . 0.0 109.354 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.572 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -130.56 136.41 48.89 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.71 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.544 HD11 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -119.13 89.49 3.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.31 -0.869 . . . . 0.0 108.897 179.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.0 mt-30 -82.18 112.12 18.92 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.235 -0.916 . . . . 0.0 109.76 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.21 136.86 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.182 -0.949 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.522 ' CD ' ' CZ ' ' C' ' 327' ' ' TYR . 1.2 ttp85 -95.23 130.37 42.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.258 -0.901 . . . . 0.0 109.42 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 136.17 -124.24 3.17 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 0.7 OUTLIER 178.54 -52.15 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -1.124 . . . . 0.0 109.251 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.61 -50.62 62.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 108.939 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.413 ' HD3' HD23 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -56.03 -43.89 78.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.225 -0.922 . . . . 0.0 108.858 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 75.5 t80 -57.72 -37.84 74.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.293 -0.879 . . . . 0.0 109.056 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 9.1 mt-10 -61.78 -42.04 98.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 0.0 108.802 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.434 ' HE1' HD23 ' B' ' 344' ' ' LEU . 10.3 mtm -58.43 -51.65 68.95 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' D' ' 345' ' ' ASN . 3.3 m-85 -61.99 -24.41 67.01 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.324 -0.86 . . . . 0.0 109.105 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -71.79 -28.35 63.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.331 -0.855 . . . . 0.0 108.904 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -78.27 -55.69 5.05 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.331 -0.855 . . . . 0.0 109.224 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.491 HD13 ' HB3' ' A' ' 344' ' ' LEU . 0.9 OUTLIER -55.22 -43.77 74.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.212 -0.93 . . . . 0.0 108.723 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.482 ' ND2' HD22 ' C' ' 330' ' ' LEU . 8.6 t-20 -65.49 -27.8 68.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.456 -0.777 . . . . 0.0 109.418 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.42 -45.41 65.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 109.39 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.68 -47.61 77.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 109.203 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.422 HD23 ' HD3' ' C' ' 337' ' ' ARG . 20.8 mt -54.92 -55.78 26.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.197 -0.939 . . . . 0.0 108.841 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -56.76 -27.36 59.37 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.544 ' CD2' ' HB2' ' A' ' 351' ' ' LYS . 0.2 OUTLIER -67.18 -38.33 85.21 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.477 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 15.9 ttpp -56.36 -39.94 73.71 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -28.16 66.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.571 -0.705 . . . . 0.0 109.457 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.84 -9.65 56.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 109.657 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.553 ' NE2' HD11 ' A' ' 350' ' ' LEU . 7.0 mt-30 -55.53 -59.91 4.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.179 -0.951 . . . . 0.0 109.606 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.535 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -102.62 166.6 10.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -1.091 . . . . 0.0 109.426 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.53 ' CE1' ' HD2' ' B' ' 333' ' ' ARG . 2.6 m-85 -104.17 127.71 51.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.612 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 37.4 m-85 -123.94 174.04 7.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -0.881 . . . . 0.0 109.194 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.548 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -134.85 132.02 38.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.0 109.901 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' B' ' 330' ' ' LEU . 0.2 OUTLIER -111.83 96.72 6.23 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 8.7 mt-30 -87.7 110.02 20.13 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.125 -0.985 . . . . 0.0 108.81 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.15 145.23 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.421 -0.799 . . . . 0.0 109.658 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.497 ' HD2' ' CE1' ' B' ' 327' ' ' TYR . 19.8 ttt-85 -111.59 89.11 2.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.366 -0.834 . . . . 0.0 109.225 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.22 -120.8 0.77 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -179.16 -45.21 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.25 -1.147 . . . . 0.0 109.324 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -73.96 -57.52 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.272 -0.893 . . . . 0.0 109.199 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.445 ' HD2' ' HB3' ' B' ' 348' ' ' LEU . 38.5 mtm-85 -51.26 -45.6 62.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.137 -0.977 . . . . 0.0 108.944 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.23 -38.67 65.97 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.319 -0.863 . . . . 0.0 109.322 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.96 -42.93 84.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.12 -0.987 . . . . 0.0 109.466 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.491 ' CE ' HD23 ' C' ' 344' ' ' LEU . 23.2 mtp -53.54 -55.6 24.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.867 . . . . 0.0 109.441 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -57.2 -32.85 66.89 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.854 0.835 . . . . 0.0 109.266 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -58.58 -42.35 87.83 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.39 0.614 . . . . 0.0 109.397 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.475 ' HB3' ' HE2' ' C' ' 340' ' ' MET . 2.6 tp10 -66.81 -47.78 70.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.289 -0.882 . . . . 0.0 109.649 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.562 ' HG ' ' HG ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -55.32 -44.91 76.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.393 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.451 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.3 m-20 -66.54 -25.27 66.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.319 -0.863 . . . . 0.0 109.894 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -57.34 6.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.311 -0.868 . . . . 0.0 109.983 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.419 ' C ' ' HB3' ' D' ' 347' ' ' ALA . . . -65.85 -48.32 72.0 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.321 -0.862 . . . . 0.0 110.228 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 344' ' ' LEU . 31.6 mt -50.89 -49.8 58.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 109.209 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.39 -31.88 71.8 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.235 -0.915 . . . . 0.0 108.946 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.65 HD13 ' HG3' ' A' ' 354' ' ' GLN . 0.1 OUTLIER -73.91 -21.63 59.99 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 120.879 -1.138 . . . . 0.0 108.673 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.518 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 7.0 ttpt -66.39 -43.43 85.85 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -30.91 70.12 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.93 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -93.69 32.27 1.44 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.883 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.65 ' HG3' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -125.4 71.76 1.23 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.202 -0.936 . . . . 0.0 109.658 -179.64 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.648 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -102.78 166.21 10.61 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -1.139 . . . . 0.0 109.495 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.497 ' CE1' ' HD2' ' A' ' 333' ' ' ARG . 2.7 m-85 -103.68 127.61 51.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.236 -0.915 . . . . 0.0 109.509 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 37.5 m-85 -125.15 169.91 11.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.31 -0.869 . . . . 0.0 109.388 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.548 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -129.39 139.63 51.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.299 -0.876 . . . . 0.0 109.755 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.542 ' HB3' ' HB2' ' A' ' 330' ' ' LEU . 0.2 OUTLIER -119.14 87.89 2.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.505 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 7.9 mt-30 -79.37 110.37 14.6 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.176 -0.952 . . . . 0.0 109.752 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.05 145.55 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -0.841 . . . . 0.0 109.176 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.53 ' HD2' ' CE1' ' A' ' 327' ' ' TYR . 19.6 ttt-85 -111.96 88.43 2.8 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.222 -0.924 . . . . 0.0 109.263 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.03 -120.6 0.75 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -179.02 -44.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.252 -1.146 . . . . 0.0 109.349 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -73.81 -57.53 3.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.91 . . . . 0.0 109.156 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.403 ' HD2' ' HB3' ' A' ' 348' ' ' LEU . 38.6 mtm-85 -51.26 -47.07 62.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.158 -0.964 . . . . 0.0 109.081 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.434 ' CE2' ' CD2' ' A' ' 328' ' ' PHE . 11.4 t80 -53.05 -38.74 62.7 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.377 -0.827 . . . . 0.0 109.254 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.95 -44.02 81.68 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.151 -0.968 . . . . 0.0 109.205 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.475 ' HE2' ' HB3' ' D' ' 343' ' ' GLU . 26.2 mtp -53.45 -56.23 18.67 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.284 -0.885 . . . . 0.0 108.901 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -56.97 -29.61 63.37 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.47 -0.769 . . . . 0.0 109.035 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -61.7 -42.07 98.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.447 -0.783 . . . . 0.0 109.601 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.46 ' HB3' ' HE2' ' D' ' 340' ' ' MET . 2.6 tp10 -66.32 -47.84 72.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.28 -0.887 . . . . 0.0 109.823 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.509 ' HG ' ' HG ' ' C' ' 344' ' ' LEU . 0.9 OUTLIER -55.79 -44.53 77.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.177 -0.952 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.539 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.5 m-20 -65.55 -26.61 67.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 109.764 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -60.86 2.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.237 -0.914 . . . . 0.0 109.794 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.415 ' HA ' HD21 ' B' ' 350' ' ' LEU . . . -62.25 -49.65 74.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.23 -0.919 . . . . 0.0 109.955 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 344' ' ' LEU . 33.4 mt -50.04 -49.83 49.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.155 -0.965 . . . . 0.0 109.684 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -61.59 -34.34 75.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.18 -0.95 . . . . 0.0 109.159 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.545 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 0.1 OUTLIER -70.64 -22.54 62.5 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.256 -0.903 . . . . 0.0 108.913 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.525 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 7.4 ttpt -66.53 -41.88 88.08 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 0.0 108.907 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -27.05 64.07 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.372 -0.83 . . . . 0.0 108.998 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -96.64 30.8 2.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 0.0 109.383 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.504 ' HG3' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -124.75 73.03 1.24 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.133 -0.979 . . . . 0.0 109.635 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.437 179.794 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -102.81 166.56 10.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -1.121 . . . . 0.0 109.478 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' D' ' 333' ' ' ARG . 2.7 m-85 -104.12 127.56 51.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.26 -0.9 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 38.0 m-85 -123.91 173.33 8.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 0.0 109.353 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.3 OUTLIER -133.3 134.95 44.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.0 109.775 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.531 ' CD2' ' ND2' ' D' ' 345' ' ' ASN . 0.2 OUTLIER -115.3 89.42 3.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 108.832 179.56 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 8.0 mt-30 -80.3 110.94 16.21 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.118 -0.989 . . . . 0.0 109.754 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.93 145.97 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.881 . . . . 0.0 109.387 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.522 ' HD2' ' CE1' ' D' ' 327' ' ' TYR . 18.9 ttt-85 -112.17 88.6 2.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.178 -0.951 . . . . 0.0 109.467 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.54 -120.53 0.75 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -178.9 -45.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.268 -1.136 . . . . 0.0 109.268 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -73.18 -58.09 3.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.297 -0.877 . . . . 0.0 109.188 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.474 ' HD2' ' HB3' ' D' ' 348' ' ' LEU . 40.0 mtm-85 -50.82 -46.43 59.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.271 -0.893 . . . . 0.0 109.077 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.424 ' CE2' ' CD2' ' D' ' 328' ' ' PHE . 11.1 t80 -53.48 -39.24 64.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.501 -0.749 . . . . 0.0 109.39 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.54 -43.82 84.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.259 -0.901 . . . . 0.0 109.212 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.475 ' HE2' ' HB3' ' A' ' 343' ' ' GLU . 26.6 mtp -53.55 -55.58 24.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -0.883 . . . . 0.0 108.798 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.402 ' CE1' ' CB ' ' D' ' 344' ' ' LEU . 17.2 m-85 -57.61 -29.25 64.35 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.432 -0.792 . . . . 0.0 109.14 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -62.07 -41.99 98.73 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.497 -0.752 . . . . 0.0 109.676 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.405 ' HB3' ' HE2' ' A' ' 340' ' ' MET . 2.7 tp10 -66.46 -48.01 71.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.244 -0.91 . . . . 0.0 109.621 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.509 ' HG ' ' HG ' ' B' ' 344' ' ' LEU . 0.6 OUTLIER -55.59 -44.23 76.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.247 -0.908 . . . . 0.0 109.376 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.51 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.3 m-20 -66.77 -25.85 66.68 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.196 -0.94 . . . . 0.0 109.83 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.81 -60.32 2.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 0.0 109.928 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.409 ' C ' ' HB3' ' B' ' 347' ' ' ALA . . . -62.54 -48.98 77.11 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.28 -0.887 . . . . 0.0 109.92 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' C' ' 344' ' ' LEU . 32.7 mt -51.02 -49.87 59.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.077 -1.015 . . . . 0.0 109.644 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.25 -34.05 74.53 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.258 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.525 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 0.1 OUTLIER -70.86 -22.51 62.29 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.296 -0.877 . . . . 0.0 108.926 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.545 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 7.2 ttpt -66.56 -41.44 88.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.337 -0.852 . . . . 0.0 109.028 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -26.91 63.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.347 -0.846 . . . . 0.0 109.097 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -96.88 31.22 2.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.332 -0.855 . . . . 0.0 109.438 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.498 ' HG3' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -125.3 73.18 1.29 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.164 -0.96 . . . . 0.0 109.596 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.383 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.639 -1.385 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -102.72 166.18 10.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -1.15 . . . . 0.0 109.501 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.522 ' CE1' ' HD2' ' C' ' 333' ' ' ARG . 2.7 m-85 -103.88 127.49 51.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 0.0 109.57 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 39.6 m-85 -123.96 173.23 8.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 109.288 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.3 OUTLIER -133.12 134.71 44.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.142 -0.974 . . . . 0.0 109.929 -179.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.53 ' HB3' ' CB ' ' C' ' 330' ' ' LEU . 0.2 OUTLIER -115.14 89.31 3.07 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 8.1 mt-30 -80.34 110.8 16.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.167 -0.958 . . . . 0.0 109.684 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.61 145.78 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 0.0 109.431 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.524 ' HD2' ' CE1' ' C' ' 327' ' ' TYR . 19.9 ttt-85 -111.9 88.8 2.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.212 -0.93 . . . . 0.0 109.626 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.12 -120.79 0.77 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -178.41 -45.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -1.139 . . . . 0.0 109.345 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.23 -57.93 3.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.914 . . . . 0.0 109.221 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.485 ' HD2' ' HB3' ' C' ' 348' ' ' LEU . 39.9 mtm-85 -51.03 -46.12 61.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.178 -0.951 . . . . 0.0 109.109 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CE2' ' CD2' ' C' ' 328' ' ' PHE . 11.3 t80 -53.84 -38.87 65.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.369 -0.832 . . . . 0.0 109.235 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.81 -43.82 82.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.259 -0.9 . . . . 0.0 109.156 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.479 ' CE ' HD23 ' B' ' 344' ' ' LEU . 27.2 mtp -53.56 -56.07 20.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.184 -0.947 . . . . 0.0 108.853 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.407 ' CE1' ' CB ' ' C' ' 344' ' ' LEU . 17.3 m-85 -57.1 -29.12 63.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.505 -0.747 . . . . 0.0 109.127 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -62.29 -42.09 99.05 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.432 -0.793 . . . . 0.0 109.666 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.475 ' HB3' ' HE2' ' B' ' 340' ' ' MET . 2.6 tp10 -66.29 -47.98 71.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.0 109.783 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.562 ' HG ' ' HG ' ' A' ' 344' ' ' LEU . 0.5 OUTLIER -55.41 -44.77 76.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 109.386 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.531 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.4 m-20 -66.12 -25.81 67.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.251 -0.905 . . . . 0.0 109.907 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -60.52 2.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.872 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.44 ' HA ' HD21 ' D' ' 350' ' ' LEU . . . -62.23 -49.81 74.25 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.926 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' D' ' 344' ' ' LEU . 33.8 mt -50.21 -49.92 51.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.161 -0.962 . . . . 0.0 109.645 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.35 -34.32 75.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.239 -0.913 . . . . 0.0 109.229 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.543 HD12 ' HG3' ' A' ' 354' ' ' GLN . 0.1 OUTLIER -70.48 -22.76 62.63 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.381 -0.825 . . . . 0.0 108.819 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.546 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 7.4 ttpt -66.44 -41.35 89.26 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.365 -0.835 . . . . 0.0 109.069 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -26.69 63.28 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.354 -0.841 . . . . 0.0 108.977 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -97.0 30.85 2.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 0.0 109.611 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.55 ' NE2' ' CD1' ' A' ' 350' ' ' LEU . 0.0 OUTLIER -125.15 73.05 1.27 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.392 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -133.61 -165.61 1.66 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.327 -1.102 . . . . 0.0 109.468 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.485 ' CZ ' ' HD3' ' B' ' 333' ' ' ARG . 29.9 m-85 -99.61 115.01 28.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.37 -0.831 . . . . 0.0 109.672 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 32.9 m-85 -111.83 132.48 54.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.212 -0.93 . . . . 0.0 109.099 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.534 HG23 ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -99.88 113.63 26.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 110.046 -179.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.559 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 0.5 OUTLIER -95.93 92.49 6.52 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -87.37 111.4 21.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.937 -1.102 . . . . 0.0 108.771 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 6.4 mt -111.97 120.25 61.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.358 -0.839 . . . . 0.0 109.925 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.46 ' HD3' ' CZ ' ' B' ' 327' ' ' TYR . 9.7 ttm180 -79.87 93.87 5.73 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 178.19 -131.11 1.69 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.314 -1.515 . . . . 0.0 109.314 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 1.7 ttt180 179.23 -61.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -1.15 . . . . 0.0 109.556 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.61 -39.98 93.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.693 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.53 ' CD ' HD11 ' B' ' 348' ' ' LEU . 6.7 mtm105 -72.34 -24.87 61.36 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.946 -1.096 . . . . 0.0 108.666 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.572 ' CZ ' ' HG ' ' B' ' 330' ' ' LEU . 40.5 t80 -67.6 -32.0 72.43 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.316 -0.865 . . . . 0.0 108.733 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 23.8 mt-10 -72.43 -48.5 40.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.292 -0.88 . . . . 0.0 109.233 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.449 ' O ' HD21 ' A' ' 344' ' ' LEU . 2.9 mtm -48.77 -54.98 12.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.654 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.561 ' CE2' ' ND2' ' B' ' 345' ' ' ASN . 8.6 m-85 -63.33 -35.5 80.6 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 121.68 0.752 . . . . 0.0 109.455 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -32.27 69.47 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -74.61 -52.01 12.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 109.56 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.548 ' HB3' ' CD1' ' D' ' 344' ' ' LEU . 1.8 mm? -55.12 -37.69 67.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.929 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.612 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 2.7 m-20 -75.72 -25.05 56.28 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.356 -0.84 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.29 -44.38 71.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.332 -0.855 . . . . 0.0 109.711 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.545 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -68.6 -49.19 61.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.19 -0.944 . . . . 0.0 109.627 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.53 HD11 ' CD ' ' B' ' 337' ' ' ARG . 57.1 mt -53.53 -46.67 70.23 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.33 -31.3 71.9 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.545 ' CD2' ' HA ' ' A' ' 347' ' ' ALA . 0.2 OUTLIER -67.7 -27.13 66.56 Favored 'General case' 0 C--N 1.311 -1.08 0 O-C-N 121.042 -1.036 . . . . 0.0 108.465 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.479 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 4.2 tptt -65.76 -42.5 90.82 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.95 -40.66 89.78 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.641 -0.824 . . . . 0.0 108.897 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.56 -16.16 60.82 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.293 -0.879 . . . . 0.0 109.634 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.551 ' HG3' ' CD1' ' D' ' 350' ' ' LEU . 0.3 OUTLIER -68.62 102.2 1.44 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.507 -0.746 . . . . 0.0 109.613 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.54 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -133.86 -166.37 1.78 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.177 -1.19 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.46 ' CZ ' ' HD3' ' A' ' 333' ' ' ARG . 32.4 m-85 -98.81 115.87 29.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.495 -0.753 . . . . 0.0 109.638 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 338' ' ' PHE . 30.9 m-85 -112.89 131.52 55.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.405 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.534 ' CG2' HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -98.29 121.23 39.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.168 -0.958 . . . . 0.0 109.469 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.572 ' HG ' ' CZ ' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -103.98 77.44 1.44 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.531 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -73.99 112.41 10.1 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.368 -0.833 . . . . 0.0 109.978 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.51 122.93 67.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.3 -0.875 . . . . 0.0 109.004 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 327' ' ' TYR . 10.5 ttm180 -83.24 89.79 7.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.883 . . . . 0.0 108.926 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . -178.35 -130.08 1.37 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 1.8 ttt180 179.49 -60.89 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.202 -1.175 . . . . 0.0 109.564 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.59 -40.36 91.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 109.639 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.53 ' CD ' HD11 ' A' ' 348' ' ' LEU . 7.6 mtm105 -72.29 -25.75 61.71 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.074 -1.016 . . . . 0.0 109.171 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.559 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 40.3 t80 -67.14 -31.55 72.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.333 -0.854 . . . . 0.0 108.752 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 22.3 mt-10 -72.91 -49.54 29.02 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.418 -0.801 . . . . 0.0 109.034 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.459 ' SD ' ' HA ' ' D' ' 340' ' ' MET . 3.5 mtm -48.84 -56.02 9.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.309 -0.869 . . . . 0.0 109.032 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.612 ' CE2' ' ND2' ' A' ' 345' ' ' ASN . 11.8 m-85 -62.95 -32.27 73.55 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.503 -0.748 . . . . 0.0 109.396 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.409 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -62.04 -31.21 71.59 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.375 -179.615 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.74 -52.64 10.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.282 -0.886 . . . . 0.0 109.763 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.521 ' HB3' ' CD1' ' C' ' 344' ' ' LEU . 1.5 mm? -54.7 -38.53 67.15 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.187 -0.945 . . . . 0.0 109.168 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.561 ' ND2' ' CE2' ' A' ' 341' ' ' PHE . 3.1 m-20 -73.92 -26.01 60.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.398 -0.814 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.29 -44.88 70.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.349 -0.845 . . . . 0.0 109.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.519 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . . . -67.17 -51.44 53.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.257 -0.902 . . . . 0.0 109.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.53 HD11 ' CD ' ' A' ' 337' ' ' ARG . 57.8 mt -52.23 -45.99 65.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.184 -0.948 . . . . 0.0 108.796 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.18 -32.4 73.79 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.551 ' CD1' ' HG3' ' C' ' 354' ' ' GLN . 0.2 OUTLIER -65.54 -28.98 69.56 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.486 ' N ' ' HG ' ' B' ' 350' ' ' LEU . 4.4 tptt -64.21 -42.85 96.43 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.68 -40.35 87.55 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.459 -0.776 . . . . 0.0 109.042 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.7 -16.6 60.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.296 -0.878 . . . . 0.0 109.313 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.516 ' HG3' ' CD1' ' C' ' 350' ' ' LEU . 0.1 OUTLIER -68.67 103.26 1.68 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.241 -0.912 . . . . 0.0 109.545 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.045 -0.979 . . . . 0.0 109.454 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -133.71 -165.17 1.59 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -1.174 . . . . 0.0 109.631 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' D' ' 333' ' ' ARG . 30.7 m-85 -100.08 115.23 29.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.558 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.469 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 31.5 m-85 -111.81 132.75 54.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.199 -0.938 . . . . 0.0 109.271 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.53 HG23 ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -99.94 116.36 31.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 110.004 -179.5 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.541 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -99.18 80.75 2.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.266 -0.896 . . . . 0.0 108.814 179.318 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -76.55 112.93 13.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.0 109.837 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.65 121.06 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 109.393 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.505 ' HD3' ' CZ ' ' D' ' 327' ' ' TYR . 10.0 ttm180 -81.02 91.07 6.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.894 . . . . 0.0 109.312 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.447 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . -179.36 -130.52 1.47 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 1.8 ttt180 179.51 -61.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -1.098 . . . . 0.0 109.482 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.47 -40.28 90.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.251 -0.905 . . . . 0.0 109.652 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.518 ' NH2' ' HB2' ' C' ' 337' ' ' ARG . 7.5 mtm105 -72.47 -25.28 61.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.109 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.549 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 42.1 t80 -67.52 -31.9 72.32 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.227 -0.921 . . . . 0.0 108.79 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 22.3 mt-10 -72.35 -49.5 33.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.818 . . . . 0.0 108.998 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.442 ' HA ' ' SD ' ' A' ' 340' ' ' MET . 3.4 mtm -48.82 -55.18 12.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.327 -0.858 . . . . 0.0 108.957 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.601 ' CE2' ' ND2' ' D' ' 345' ' ' ASN . 11.7 m-85 -63.5 -31.62 72.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.431 -0.793 . . . . 0.0 109.516 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.405 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -62.94 -30.38 71.52 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.264 -0.898 . . . . 0.0 109.46 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -75.11 -52.69 10.39 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.132 -0.98 . . . . 0.0 109.532 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.529 ' HB2' ' CE1' ' D' ' 341' ' ' PHE . 1.6 mm? -55.07 -38.76 68.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.593 ' ND2' ' CE2' ' D' ' 341' ' ' PHE . 2.8 m-20 -74.13 -25.27 59.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.834 . . . . 0.0 109.226 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.27 -44.44 68.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.358 -0.839 . . . . 0.0 109.468 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . . . -67.6 -49.54 62.6 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.241 -0.912 . . . . 0.0 109.29 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.494 HD11 ' CD ' ' D' ' 337' ' ' ARG . 57.7 mt -54.34 -45.54 72.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.057 -1.027 . . . . 0.0 108.739 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -63.27 -31.95 73.23 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -66.04 -29.47 69.83 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.367 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.495 ' N ' ' HG ' ' C' ' 350' ' ' LEU . 4.3 tptt -63.64 -42.3 98.15 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.31 -40.2 89.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.336 -0.852 . . . . 0.0 109.207 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.88 -16.14 60.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.361 -0.837 . . . . 0.0 109.309 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.551 ' HG3' ' CD1' ' B' ' 350' ' ' LEU . 0.0 OUTLIER -69.27 103.91 2.08 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.307 -0.871 . . . . 0.0 109.54 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.544 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -133.48 -165.13 1.58 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.195 -1.18 . . . . 0.0 109.704 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.505 ' CZ ' ' HD3' ' C' ' 333' ' ' ARG . 31.1 m-85 -100.26 115.08 29.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.626 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.491 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 31.9 m-85 -111.64 132.85 54.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.158 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.53 ' CG2' HG23 ' C' ' 329' ' ' THR . 0.2 OUTLIER -100.11 116.24 31.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.307 -0.871 . . . . 0.0 109.943 -179.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.549 ' HG ' ' CZ ' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -99.05 80.66 2.49 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.301 -0.874 . . . . 0.0 108.799 179.324 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -76.4 112.86 13.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.883 . . . . 0.0 109.826 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 5.8 mt -113.38 120.91 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.344 -0.847 . . . . 0.0 109.469 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.517 ' HD3' ' CZ ' ' C' ' 327' ' ' TYR . 10.1 ttm180 -80.95 91.08 5.98 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.9 . . . . 0.0 109.432 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . -179.5 -130.68 1.5 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 1.8 ttt180 179.89 -60.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.278 -1.13 . . . . 0.0 109.491 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.56 -40.2 90.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.623 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.508 ' NH2' ' HB2' ' D' ' 337' ' ' ARG . 7.2 mtm105 -72.54 -25.42 61.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.087 -1.008 . . . . 0.0 109.071 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.541 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 41.9 t80 -67.34 -31.98 72.62 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.295 -0.878 . . . . 0.0 108.778 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 22.5 mt-10 -72.28 -49.54 33.97 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.301 -0.875 . . . . 0.0 108.9 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.459 ' HA ' ' SD ' ' B' ' 340' ' ' MET . 3.5 mtm -48.66 -55.53 11.03 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.234 -0.916 . . . . 0.0 109.025 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.593 ' CE2' ' ND2' ' C' ' 345' ' ' ASN . 11.5 m-85 -63.26 -31.63 72.83 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.485 -0.759 . . . . 0.0 109.555 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -30.55 71.57 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.295 -0.878 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.417 ' HB3' ' HE3' ' B' ' 340' ' ' MET . 16.9 tp10 -75.26 -52.16 11.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.197 -0.939 . . . . 0.0 109.615 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.548 ' CD1' ' HB3' ' A' ' 344' ' ' LEU . 1.5 mm? -55.28 -38.71 68.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.149 -0.969 . . . . 0.0 109.215 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' C' ' 341' ' ' PHE . 2.9 m-20 -74.34 -25.09 59.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 0.0 109.251 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.08 -45.02 67.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.323 -0.861 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.519 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . . . -66.84 -51.47 55.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.166 -0.959 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.509 HD11 ' CD ' ' C' ' 337' ' ' ARG . 59.9 mt -52.43 -46.08 66.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.225 -0.922 . . . . 0.0 108.807 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.95 -32.52 73.84 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.551 ' CD1' ' HG3' ' A' ' 354' ' ' GLN . 0.2 OUTLIER -65.37 -29.15 69.84 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.362 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.491 ' N ' ' HG ' ' D' ' 350' ' ' LEU . 4.2 tptt -64.29 -42.59 96.31 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.92 -39.68 86.29 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.325 -0.86 . . . . 0.0 109.079 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.43 -16.73 60.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.355 -0.841 . . . . 0.0 109.325 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.531 ' HG3' ' CD1' ' A' ' 350' ' ' LEU . 0.0 OUTLIER -68.97 103.9 1.95 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.285 -0.884 . . . . 0.0 109.534 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.475 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.294 0.569 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 10.7 m-85 -112.45 130.06 56.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.258 -0.901 . . . . 0.0 109.305 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.592 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 96.4 m-85 -123.37 154.04 39.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 0.0 109.556 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.035 HG22 HG22 ' B' ' 329' ' ' THR . 0.3 OUTLIER -108.02 134.55 50.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.354 -0.841 . . . . 0.0 109.5 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.582 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -116.32 95.13 4.93 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.2 OUTLIER -89.92 112.57 23.99 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.212 -0.93 . . . . 0.0 109.009 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.623 HG12 ' ND2' ' B' ' 345' ' ' ASN . 3.2 mt -113.04 149.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.343 -0.848 . . . . 0.0 109.982 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -93.71 148.8 21.78 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.64 -147.92 18.91 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 18.9 ttt180 -158.85 -49.27 0.06 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -1.132 . . . . 0.0 109.368 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.29 -48.62 49.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 0.0 109.431 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.976 ' HD2' HD13 ' B' ' 348' ' ' LEU . 23.7 mtm-85 -53.62 -43.36 68.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.176 -0.952 . . . . 0.0 109.234 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.581 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 79.2 t80 -57.0 -35.55 69.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.228 -0.92 . . . . 0.0 109.106 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 21.9 mt-10 -66.08 -39.31 89.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 108.984 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.534 ' O ' HD22 ' A' ' 344' ' ' LEU . 9.4 mtm -54.78 -57.49 11.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 0.0 109.398 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' B' ' 344' ' ' LEU . 9.7 m-85 -58.26 -36.03 72.65 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.672 0.749 . . . . 0.0 109.521 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -35.71 76.76 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.0 -47.77 64.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.0 109.104 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.858 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.9 mm? -58.05 -35.15 70.91 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.259 -0.901 . . . . 0.0 108.775 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.619 ' ND2' HG12 ' B' ' 332' ' ' ILE . 0.9 OUTLIER -81.05 -19.64 43.37 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.329 -0.857 . . . . 0.0 109.264 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.4 -39.12 71.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.415 -0.803 . . . . 0.0 109.05 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.556 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -74.98 -45.84 39.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.339 -0.851 . . . . 0.0 108.922 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.966 HD13 ' HD2' ' B' ' 337' ' ' ARG . 69.3 mt -53.44 -48.14 69.06 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -32.14 71.29 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.13 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.63 -30.65 71.38 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.453 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 29.7 tttm -61.52 -45.89 92.29 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -22.14 66.43 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.555 -0.716 . . . . 0.0 109.633 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.61 130.18 56.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.581 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 95.8 m-85 -123.64 153.99 39.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.189 -0.944 . . . . 0.0 109.753 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.035 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -106.84 140.1 40.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.186 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.9 OUTLIER -121.38 86.59 2.6 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.294 -0.879 . . . . 0.0 108.978 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -82.3 113.23 19.96 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.277 -0.89 . . . . 0.0 109.68 -179.587 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.619 HG12 ' ND2' ' A' ' 345' ' ' ASN . 3.2 mt -114.21 148.81 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.252 -0.905 . . . . 0.0 109.699 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.418 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 2.1 ttp85 -92.95 149.54 21.17 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.293 -0.879 . . . . 0.0 109.056 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.28 -147.94 18.78 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 18.8 ttt180 -158.35 -48.7 0.06 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.262 -1.14 . . . . 0.0 109.493 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -71.28 -48.21 52.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.277 -0.89 . . . . 0.0 109.503 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.966 ' HD2' HD13 ' A' ' 348' ' ' LEU . 21.8 mtm-85 -53.91 -43.58 69.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.181 -0.949 . . . . 0.0 109.406 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 79.3 t80 -57.03 -34.92 68.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.912 . . . . 0.0 109.121 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 18.7 mt-10 -66.59 -40.03 88.71 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.258 -0.901 . . . . 0.0 109.003 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.534 ' O ' HD22 ' B' ' 344' ' ' LEU . 11.9 mtm -55.39 -58.18 8.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 108.833 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.513 ' CE1' ' HB2' ' A' ' 344' ' ' LEU . 12.3 m-85 -57.42 -34.26 68.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.47 -0.768 . . . . 0.0 109.266 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -35.0 77.94 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.389 -0.82 . . . . 0.0 109.344 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.409 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 1.1 tp10 -69.02 -48.2 63.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 109.144 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.861 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.9 mm? -58.69 -33.06 69.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.188 -0.945 . . . . 0.0 108.703 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.623 ' ND2' HG12 ' A' ' 332' ' ' ILE . 1.0 OUTLIER -82.36 -20.5 37.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.447 -0.783 . . . . 0.0 108.994 179.633 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.85 -39.14 73.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.38 -0.825 . . . . 0.0 108.921 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.576 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -74.09 -47.52 35.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 108.849 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.976 HD13 ' HD2' ' A' ' 337' ' ' ARG . 66.1 mt -52.57 -47.56 66.76 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -34.04 73.9 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.38 -31.0 72.04 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.372 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 30.0 tttm -61.73 -44.87 96.09 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -21.07 65.81 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.411 0 O-C-N 121.421 -0.8 . . . . 0.0 109.346 179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.318 0.58 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 10.6 m-85 -112.51 130.3 56.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.598 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 96.7 m-85 -123.34 155.0 38.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.189 -0.945 . . . . 0.0 109.68 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.948 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -108.39 136.31 48.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.892 . . . . 0.0 109.572 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.586 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.9 OUTLIER -117.83 88.73 2.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.917 . . . . 0.0 109.301 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -84.17 112.91 20.68 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.276 -0.89 . . . . 0.0 109.577 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.625 HG12 ' ND2' ' D' ' 345' ' ' ASN . 3.2 mt -113.88 149.44 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.91 . . . . 0.0 109.768 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.5 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 2.2 ttp85 -93.47 149.36 21.29 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.293 -0.88 . . . . 0.0 109.193 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.28 -147.4 18.77 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 18.9 ttt180 -158.76 -48.67 0.06 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -1.198 . . . . 0.0 109.512 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -71.24 -48.47 50.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.226 -0.921 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.956 ' HD2' HD13 ' D' ' 348' ' ' LEU . 22.0 mtm-85 -53.89 -43.05 69.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 109.426 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.613 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 79.8 t80 -57.41 -35.27 69.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.249 -0.907 . . . . 0.0 109.121 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 18.9 mt-10 -66.15 -39.78 90.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.32 -0.863 . . . . 0.0 108.992 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.522 ' O ' HD22 ' C' ' 344' ' ' LEU . 11.6 mtm -55.44 -57.63 11.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.235 -0.916 . . . . 0.0 108.764 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.529 ' CE1' ' HB2' ' D' ' 344' ' ' LEU . 12.3 m-85 -57.81 -33.76 68.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.499 -0.75 . . . . 0.0 109.426 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.53 77.77 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.429 -0.795 . . . . 0.0 109.408 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.52 -48.19 61.32 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.22 -0.925 . . . . 0.0 109.014 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.8 mm? -58.61 -33.06 69.6 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 108.753 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.617 ' ND2' HG12 ' D' ' 332' ' ' ILE . 1.0 OUTLIER -82.77 -20.37 36.0 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 109.036 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -71.52 -38.59 71.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.387 -0.821 . . . . 0.0 108.884 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.574 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -74.66 -45.84 41.98 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.408 -0.807 . . . . 0.0 108.872 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.947 HD13 ' HD2' ' D' ' 337' ' ' ARG . 63.6 mt -54.45 -47.15 73.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.137 -0.977 . . . . 0.0 108.394 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.83 -34.48 74.61 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -62.73 -31.2 72.09 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.523 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 29.9 tttm -61.39 -44.74 96.64 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -20.36 65.51 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.445 0 O-C-N 121.502 -0.749 . . . . 0.0 109.259 179.807 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.301 0.572 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.5 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 10.9 m-85 -112.71 130.13 56.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 109.451 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.613 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 96.8 m-85 -123.18 154.57 38.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 0.0 109.599 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.948 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -108.12 136.16 48.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.507 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.9 OUTLIER -117.7 88.76 2.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.866 . . . . 0.0 109.294 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -84.11 113.02 20.75 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.898 . . . . 0.0 109.524 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.617 HG12 ' ND2' ' C' ' 345' ' ' ASN . 3.2 mt -113.92 149.57 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.236 -0.915 . . . . 0.0 109.683 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 2.2 ttp85 -93.59 149.25 21.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.378 -0.826 . . . . 0.0 109.253 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.38 -147.13 18.78 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 18.6 ttt180 -158.66 -49.05 0.06 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.179 -1.189 . . . . 0.0 109.462 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -70.91 -48.73 52.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.257 -0.902 . . . . 0.0 109.442 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.947 ' HD2' HD13 ' C' ' 348' ' ' LEU . 21.9 mtm-85 -53.71 -43.17 68.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.394 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.598 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 79.7 t80 -57.32 -35.29 69.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -0.939 . . . . 0.0 109.105 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 18.8 mt-10 -65.96 -40.32 91.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.32 -0.863 . . . . 0.0 108.936 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.48 ' O ' HD22 ' D' ' 344' ' ' LEU . 11.4 mtm -55.02 -57.66 10.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 0.0 108.873 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 12.2 m-85 -57.78 -33.67 68.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.425 -0.797 . . . . 0.0 109.419 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -34.71 78.18 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.423 -0.798 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.435 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 1.1 tp10 -69.19 -48.19 62.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.184 -0.948 . . . . 0.0 109.01 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.858 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.8 mm? -58.7 -33.18 69.89 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.302 -0.874 . . . . 0.0 108.846 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.625 ' ND2' HG12 ' C' ' 332' ' ' ILE . 1.0 OUTLIER -82.59 -20.19 36.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.419 -0.801 . . . . 0.0 109.006 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -71.39 -38.84 71.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.445 -0.784 . . . . 0.0 108.96 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.58 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -74.21 -47.33 36.18 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.956 HD13 ' HD2' ' C' ' 337' ' ' ARG . 64.0 mt -52.94 -47.25 68.19 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -34.44 74.95 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 1.13 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -62.46 -31.83 72.61 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.245 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.524 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 30.1 tttm -61.07 -45.28 95.38 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -20.5 65.95 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.813 . . . . 0.0 109.282 179.803 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -108.11 141.72 39.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.345 -0.847 . . . . 0.0 109.585 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 14.3 m-85 -139.47 148.25 42.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.348 -0.845 . . . . 0.0 109.131 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -109.41 136.98 47.95 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 109.958 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.595 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -118.91 96.13 5.12 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.45 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.791 ' HG2' HG23 ' B' ' 329' ' ' THR . 76.2 mt-30 -88.59 115.57 26.21 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.177 -0.952 . . . . 0.0 109.177 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mt -119.5 150.79 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.441 -0.787 . . . . 0.0 109.746 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -95.25 158.54 15.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.322 -0.861 . . . . 0.0 109.15 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 106.9 -127.12 8.71 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 19.8 ttt180 178.53 -49.13 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.273 -1.134 . . . . 0.0 109.268 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -55.82 8.69 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.281 -0.887 . . . . 0.0 109.458 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.589 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -51.7 -37.3 50.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.115 -0.99 . . . . 0.0 109.058 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.571 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 60.2 t80 -60.23 -47.1 87.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.256 -0.903 . . . . 0.0 109.377 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 14.5 mt-10 -62.8 -33.37 75.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.225 -0.922 . . . . 0.0 109.403 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 3.3 mtp -56.15 -55.42 33.24 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.962 0.887 . . . . 0.0 109.555 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.587 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 15.9 m-85 -59.55 -37.14 77.62 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.853 0.835 . . . . 0.0 108.915 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.515 ' HA ' ' ND2' ' A' ' 345' ' ' ASN . 4.1 ttt180 -50.48 -37.09 36.72 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 2.0 tp10 -72.92 -54.34 8.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.397 -0.814 . . . . 0.0 110.084 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' D' ' 344' ' ' LEU . 1.8 mm? -50.78 -60.39 3.11 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.897 -1.127 . . . . 0.0 109.289 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.515 ' ND2' ' HA ' ' A' ' 342' ' ' ARG . 0.8 OUTLIER -58.34 -23.48 56.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.049 -1.032 . . . . 0.0 109.381 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 343' ' ' GLU . 2.3 mt-10 -65.48 -43.88 88.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.171 -0.956 . . . . 0.0 109.7 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.685 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -72.87 -47.17 48.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.114 -0.991 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' D' ' 347' ' ' ALA . 84.4 mt -50.67 -45.87 58.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.145 -0.972 . . . . 0.0 108.563 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -62.94 -34.6 77.82 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.011 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -67.67 -22.4 65.3 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.354 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.542 ' CA ' HD21 ' D' ' 350' ' ' LEU . 3.6 ttpp -68.91 -42.86 76.29 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -38.98 93.17 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 120.049 -0.661 . . . . 0.0 109.433 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.147 -0.971 . . . . 0.0 109.631 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.46 141.44 43.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.185 -0.947 . . . . 0.0 109.399 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 14.3 m-85 -139.65 147.59 41.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.923 . . . . 0.0 109.54 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -107.15 144.28 34.12 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.227 -0.921 . . . . 0.0 109.47 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -125.99 86.01 2.47 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.66 ' HG2' HG23 ' A' ' 329' ' ' THR . 78.7 mt-30 -79.91 116.49 20.08 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 110.146 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.22 152.03 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.317 -0.864 . . . . 0.0 109.253 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -96.74 158.6 15.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 0.0 109.168 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 106.65 -126.92 8.66 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 20.1 ttt180 178.71 -49.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -1.119 . . . . 0.0 109.315 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -55.16 11.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 0.0 109.492 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.602 ' HD3' HD13 ' A' ' 348' ' ' LEU . 0.5 OUTLIER -52.21 -38.65 58.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 109.286 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.595 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 63.8 t80 -58.71 -48.42 81.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.286 -0.884 . . . . 0.0 109.295 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 12.0 mt-10 -62.28 -33.13 74.04 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.312 -0.867 . . . . 0.0 109.297 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.517 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 3.0 mtp -57.13 -55.85 29.36 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.339 -0.85 . . . . 0.0 108.971 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.587 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 21.6 m-85 -59.6 -34.66 73.03 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.377 -0.827 . . . . 0.0 108.897 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.517 ' HA ' ' ND2' ' B' ' 345' ' ' ASN . 4.3 ttt180 -52.96 -33.71 52.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.483 -0.761 . . . . 0.0 109.139 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.0 tp10 -75.82 -53.77 7.95 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 0.0 110.141 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.779 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.7 mm? -51.17 -59.29 4.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.95 -1.094 . . . . 0.0 109.14 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.517 ' ND2' ' HA ' ' B' ' 342' ' ' ARG . 0.7 OUTLIER -59.11 -23.02 61.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.173 -0.954 . . . . 0.0 109.153 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 2.1 mt-10 -66.86 -43.89 82.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 0.0 109.393 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.724 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -72.08 -48.64 42.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.182 -0.949 . . . . 0.0 109.36 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.79 HD23 ' HB2' ' C' ' 347' ' ' ALA . 84.8 mt -49.72 -46.38 50.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 109.005 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.89 -35.98 81.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.315 -0.866 . . . . 0.0 108.674 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 1.056 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -65.27 -24.06 67.21 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.298 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.57 ' CA ' HD21 ' C' ' 350' ' ' LEU . 3.6 ttpp -67.83 -42.05 82.07 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -38.11 89.87 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.444 -0.785 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.469 0 O-C-N 121.305 -0.872 . . . . 0.0 109.461 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.337 0.589 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.59 141.25 44.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.175 -0.953 . . . . 0.0 109.508 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 14.3 m-85 -138.93 148.37 43.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 329' ' ' THR . . . . . 1.043 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -108.94 139.53 43.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.18 -0.95 . . . . 0.0 109.771 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -121.69 88.54 2.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.339 -0.85 . . . . 0.0 108.887 179.524 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.714 ' HG2' HG23 ' D' ' 329' ' ' THR . 77.4 mt-30 -82.01 116.55 21.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.221 -0.924 . . . . 0.0 109.813 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.2 152.98 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 109.238 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.37 157.94 15.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 109.322 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 106.7 -126.98 8.68 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 20.2 ttt180 179.08 -49.1 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.17 -1.194 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.2 -55.46 10.55 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 109.452 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.542 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.5 OUTLIER -52.11 -38.57 57.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.17 -0.956 . . . . 0.0 109.201 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.573 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 62.2 t80 -58.79 -48.5 81.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.245 -0.91 . . . . 0.0 109.361 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 12.0 mt-10 -61.92 -33.18 73.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.213 -0.929 . . . . 0.0 109.261 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 3.1 mtp -57.02 -55.23 37.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.312 -0.868 . . . . 0.0 108.946 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' D' ' 344' ' ' LEU . 22.6 m-85 -60.1 -34.29 73.29 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.305 -0.872 . . . . 0.0 108.869 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.503 ' HA ' ' ND2' ' C' ' 345' ' ' ASN . 3.4 ttt180 -53.19 -32.93 50.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.38 -0.825 . . . . 0.0 109.29 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.0 tp10 -76.55 -53.75 7.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.359 -0.838 . . . . 0.0 110.076 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.7 mm? -51.3 -59.66 3.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.907 -1.121 . . . . 0.0 109.172 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.503 ' ND2' ' HA ' ' C' ' 342' ' ' ARG . 0.8 OUTLIER -59.36 -22.34 61.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.134 -0.979 . . . . 0.0 109.272 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' C' ' 343' ' ' GLU . 2.1 mt-10 -67.57 -44.1 79.03 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.287 -0.883 . . . . 0.0 109.325 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.79 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -72.13 -46.0 58.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.27 -0.894 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.724 HD23 ' HB2' ' B' ' 347' ' ' ALA . 84.5 mt -52.69 -46.02 67.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.032 -1.043 . . . . 0.0 108.972 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.68 -35.94 81.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.322 -0.861 . . . . 0.0 108.733 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 1.056 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -65.5 -23.72 66.96 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.422 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.6 ' CA ' HD21 ' B' ' 350' ' ' LEU . 3.7 ttpp -68.11 -41.69 81.41 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -37.64 88.31 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.487 -0.758 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.0 109.595 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.33 141.27 43.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -0.871 . . . . 0.0 109.393 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 14.2 m-85 -138.89 148.26 43.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.0 109.408 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 329' ' ' THR . . . . . 1.043 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -108.84 139.61 43.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -0.938 . . . . 0.0 109.834 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.573 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -121.79 88.47 2.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.314 -0.866 . . . . 0.0 108.911 179.574 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.719 ' HG2' HG23 ' C' ' 329' ' ' THR . 77.5 mt-30 -81.87 116.43 21.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.29 -0.882 . . . . 0.0 109.789 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.95 152.86 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.273 -0.892 . . . . 0.0 109.426 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.19 157.82 15.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.142 -0.974 . . . . 0.0 109.505 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 106.63 -126.91 8.66 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 19.9 ttt180 179.41 -49.15 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.222 -1.164 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.24 -55.6 10.05 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 0.0 109.433 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.542 ' HD3' HD13 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -51.99 -38.37 56.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.167 -0.958 . . . . 0.0 109.219 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.576 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 62.0 t80 -58.97 -48.59 80.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.27 -0.894 . . . . 0.0 109.323 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 11.8 mt-10 -61.82 -33.14 73.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -0.935 . . . . 0.0 109.172 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.517 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.1 mtp -57.17 -55.32 36.29 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.362 -0.836 . . . . 0.0 109.001 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 22.1 m-85 -59.92 -34.25 72.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.368 -0.833 . . . . 0.0 108.915 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.504 ' HA ' ' ND2' ' D' ' 345' ' ' ASN . 3.3 ttt180 -53.26 -32.84 50.48 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.334 -0.854 . . . . 0.0 109.303 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.0 tp10 -76.62 -53.63 7.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.341 -0.849 . . . . 0.0 110.073 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.731 ' HB3' HD12 ' A' ' 344' ' ' LEU . 1.5 mm? -51.46 -59.39 4.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.94 -1.1 . . . . 0.0 109.137 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.504 ' ND2' ' HA ' ' D' ' 342' ' ' ARG . 0.8 OUTLIER -59.52 -22.49 61.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.086 -1.009 . . . . 0.0 109.301 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' D' ' 343' ' ' GLU . 2.1 mt-10 -67.23 -43.92 80.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.305 -0.872 . . . . 0.0 109.35 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.782 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.81 -48.38 46.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.212 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.685 HD23 ' HB2' ' A' ' 347' ' ' ALA . 84.6 mt -50.18 -46.75 54.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.922 . . . . 0.0 109.05 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.37 -36.22 81.58 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 1.011 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -65.03 -24.32 67.45 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.613 ' CA ' HD21 ' A' ' 350' ' ' LEU . 3.8 ttpp -68.0 -41.66 81.92 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -37.5 87.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.422 -0.799 . . . . 0.0 109.274 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.376 -0.827 . . . . 0.0 109.579 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.598 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 5.4 m-85 -99.79 109.16 21.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.291 -0.881 . . . . 0.0 109.127 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.606 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 33.9 m-85 -108.8 162.76 13.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -0.933 . . . . 0.0 109.11 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.058 HG22 HG22 ' B' ' 329' ' ' THR . 0.3 OUTLIER -124.83 138.01 54.28 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.185 -0.947 . . . . 0.0 109.967 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.769 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -117.94 95.66 5.01 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.244 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.5 mt-30 -88.93 114.22 25.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.179 -0.951 . . . . 0.0 109.104 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 2.6 mp -110.76 128.35 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.402 -0.811 . . . . 0.0 109.535 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.586 ' HG2' ' CZ ' ' B' ' 327' ' ' TYR . 8.5 mtp180 -90.61 97.42 11.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.422 -0.799 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.06 -137.11 4.41 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.27 -51.03 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.261 -1.141 . . . . 0.0 109.298 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.17 -51.68 29.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.151 -0.968 . . . . 0.0 109.289 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.699 ' HD3' HD22 ' B' ' 348' ' ' LEU . 5.8 mtm180 -60.29 -36.63 78.29 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.222 -0.924 . . . . 0.0 108.817 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.781 ' CE1' HD12 ' B' ' 330' ' ' LEU . 88.5 t80 -63.27 -40.96 98.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.334 -0.854 . . . . 0.0 108.836 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 342' ' ' ARG . 1.9 mt-10 -63.59 -34.25 77.41 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 108.78 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.552 ' O ' HD22 ' A' ' 344' ' ' LEU . 15.2 mtp -55.98 -56.57 19.09 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.869 0.843 . . . . 0.0 109.203 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 8.7 m-85 -59.86 -34.16 72.76 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.882 0.848 . . . . 0.0 109.211 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 0.0 OUTLIER -55.96 -39.99 72.56 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.488 0.661 . . . . 0.0 109.272 179.76 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.529 ' HB3' ' HE1' ' C' ' 340' ' ' MET . 0.4 OUTLIER -71.15 -47.64 56.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.364 -0.835 . . . . 0.0 109.772 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.734 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.7 mm? -54.43 -60.64 3.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.94 . . . . 0.0 109.679 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.586 ' C ' ' ND2' ' A' ' 345' ' ' ASN . 0.0 OUTLIER -62.4 -19.93 63.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.164 -0.96 . . . . 0.0 109.771 -179.637 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 7.2 tt0 -68.55 -47.91 65.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.128 -0.983 . . . . 0.0 109.639 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.785 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -69.37 -44.46 71.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.116 -0.99 . . . . 0.0 109.716 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.879 HD23 ' HB2' ' D' ' 347' ' ' ALA . 25.5 mt -54.19 -49.15 70.02 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.51 -31.06 69.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.037 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -69.11 -30.22 68.46 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.638 ' CA ' HD21 ' D' ' 350' ' ' LEU . 3.9 ttmt -58.37 -43.58 88.48 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.76 -23.81 60.87 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.812 -0.555 . . . . 0.0 109.526 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.297 -0.877 . . . . 0.0 110.17 -179.699 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.317 0.58 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.586 ' CZ ' ' HG2' ' A' ' 333' ' ' ARG . 5.2 m-85 -100.06 106.92 18.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.582 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 33.7 m-85 -107.55 161.33 14.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.122 -0.986 . . . . 0.0 109.458 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.058 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -122.39 144.65 48.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.19 -0.944 . . . . 0.0 109.634 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.781 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -124.39 87.03 2.65 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.335 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 3.0 mt-30 -80.82 115.2 20.19 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 110.073 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.59 128.07 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.383 -0.823 . . . . 0.0 109.09 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.598 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 8.6 mtp180 -90.6 96.98 10.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 109.434 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.58 -137.0 4.34 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.29 -51.15 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -1.157 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.96 -51.05 35.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.86 . . . . 0.0 109.332 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.649 ' HD3' HD22 ' A' ' 348' ' ' LEU . 6.2 mtm180 -61.15 -36.9 81.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.196 -0.94 . . . . 0.0 108.967 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.769 ' CE1' HD12 ' A' ' 330' ' ' LEU . 88.7 t80 -62.75 -41.4 99.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 0.0 108.947 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 2.0 mt-10 -63.28 -35.16 79.44 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.28 -0.887 . . . . 0.0 108.646 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.529 ' O ' HD22 ' B' ' 344' ' ' LEU . 17.1 mtp -55.95 -57.34 12.51 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 12.8 m-85 -59.49 -31.09 69.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.452 -0.78 . . . . 0.0 109.004 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.0 OUTLIER -59.39 -38.18 79.87 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.31 -0.869 . . . . 0.0 109.5 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.442 ' HB3' ' HE1' ' D' ' 340' ' ' MET . 0.4 OUTLIER -72.21 -47.57 49.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.356 -0.84 . . . . 0.0 109.719 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.77 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.7 mm? -54.4 -61.24 2.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.16 -0.963 . . . . 0.0 109.451 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.604 ' ND2' ' C ' ' B' ' 345' ' ' ASN . 0.0 OUTLIER -61.37 -19.6 62.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 109.8 -179.58 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 7.5 tt0 -70.15 -48.24 58.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 0.0 109.537 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.858 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -68.21 -45.52 73.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.202 -0.936 . . . . 0.0 109.434 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.903 HD23 ' HB2' ' C' ' 347' ' ' ALA . 25.7 mt -53.58 -49.82 66.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 108.831 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.62 -34.08 70.76 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 1.057 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -65.11 -32.55 74.31 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.365 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.645 ' CA ' HD21 ' C' ' 350' ' ' LEU . 3.9 ttmt -56.86 -42.08 79.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -74.87 -21.74 59.07 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.431 -0.793 . . . . 0.0 109.373 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 109.728 -179.849 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.302 0.572 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.579 ' CZ ' ' HG2' ' D' ' 333' ' ' ARG . 5.3 m-85 -99.69 107.09 19.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -0.879 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 33.6 m-85 -107.28 162.34 13.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 109.444 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 329' ' ' THR . . . . . 1.045 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -124.13 140.93 52.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.162 -0.961 . . . . 0.0 109.922 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.791 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -121.22 87.59 2.78 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.337 -0.852 . . . . 0.0 108.74 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.1 mt-30 -81.09 115.77 20.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.252 -0.905 . . . . 0.0 109.97 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -112.23 128.71 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 0.0 109.257 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.59 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 8.6 mtp180 -90.93 97.23 11.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.543 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.01 -137.04 4.38 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.02 -51.33 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.312 -1.111 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.72 -51.41 34.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.178 -0.951 . . . . 0.0 109.246 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.693 ' HD3' HD22 ' D' ' 348' ' ' LEU . 6.1 mtm180 -60.9 -36.6 79.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.193 -0.942 . . . . 0.0 108.865 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.793 ' CE1' HD12 ' D' ' 330' ' ' LEU . 88.5 t80 -62.89 -42.07 99.65 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.354 -0.841 . . . . 0.0 108.913 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 2.0 mt-10 -62.63 -35.07 78.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.263 -0.898 . . . . 0.0 108.651 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.53 ' O ' HD22 ' C' ' 344' ' ' LEU . 17.9 mtp -56.07 -56.88 15.49 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.553 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 12.8 m-85 -59.79 -31.28 69.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.0 OUTLIER -59.19 -38.09 79.01 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.341 -0.85 . . . . 0.0 109.466 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.429 ' HB3' ' HE1' ' A' ' 340' ' ' MET . 0.4 OUTLIER -72.34 -47.17 51.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.233 -0.917 . . . . 0.0 109.694 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.7 mm? -54.7 -61.26 2.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.057 -1.027 . . . . 0.0 109.494 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.591 ' C ' ' ND2' ' C' ' 345' ' ' ASN . 0.0 OUTLIER -62.07 -18.9 62.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -0.97 . . . . 0.0 109.859 -179.532 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 7.7 tt0 -70.51 -48.0 57.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.071 -1.018 . . . . 0.0 109.334 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.903 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -68.43 -44.88 73.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.858 HD23 ' HB2' ' B' ' 347' ' ' ALA . 26.5 mt -54.34 -50.05 68.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 108.914 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.26 -33.91 69.92 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.294 -0.879 . . . . 0.0 108.759 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 1.057 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -65.16 -32.91 74.83 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.407 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.654 ' CA ' HD21 ' B' ' 350' ' ' LEU . 3.9 ttmt -56.37 -42.06 77.2 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -75.04 -21.44 59.04 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.796 . . . . 0.0 109.391 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.697 -179.892 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.311 0.577 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.59 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 5.4 m-85 -100.05 106.9 18.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 109.297 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 33.3 m-85 -107.1 162.27 14.01 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.159 -0.963 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 329' ' ' THR . . . . . 1.045 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -124.07 140.93 52.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.185 -0.947 . . . . 0.0 109.904 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.793 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -121.1 87.66 2.79 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.404 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.2 mt-30 -81.13 115.71 20.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.358 -0.839 . . . . 0.0 109.908 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -112.09 128.38 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.409 -0.807 . . . . 0.0 109.255 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.579 ' HG2' ' CZ ' ' C' ' 327' ' ' TYR . 8.6 mtp180 -90.74 97.48 11.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.272 -0.892 . . . . 0.0 109.63 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.83 -137.19 4.47 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.77 -51.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -1.113 . . . . 0.0 109.308 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.53 -51.5 35.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.244 -0.91 . . . . 0.0 109.289 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.682 ' HD3' HD22 ' C' ' 348' ' ' LEU . 6.1 mtm180 -60.84 -36.65 79.65 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.116 -0.99 . . . . 0.0 108.866 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' C' ' 330' ' ' LEU . 88.1 t80 -62.98 -41.79 99.66 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.365 -0.835 . . . . 0.0 108.902 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' D' ' 342' ' ' ARG . 1.9 mt-10 -62.79 -35.21 79.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.303 -0.873 . . . . 0.0 108.652 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.496 ' O ' HD22 ' D' ' 344' ' ' LEU . 17.7 mtp -55.91 -57.32 12.56 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.553 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 13.1 m-85 -59.44 -31.09 68.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.489 -0.757 . . . . 0.0 109.003 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.0 OUTLIER -59.36 -37.99 79.28 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.34 -0.85 . . . . 0.0 109.427 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.451 ' HB3' ' HE1' ' B' ' 340' ' ' MET . 0.4 OUTLIER -72.39 -47.64 47.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.332 -0.855 . . . . 0.0 109.625 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.734 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.4 mm? -54.24 -61.49 2.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.0 109.514 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.588 ' ND2' ' C ' ' D' ' 345' ' ' ASN . 0.0 OUTLIER -61.72 -18.79 61.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.159 -0.963 . . . . 0.0 110.002 -179.617 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 7.6 tt0 -70.35 -48.19 57.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.081 -1.012 . . . . 0.0 109.357 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.879 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -67.99 -45.92 72.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.264 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.785 HD23 ' HB2' ' A' ' 347' ' ' ALA . 26.9 mt -53.39 -50.07 65.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 108.952 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.56 -33.93 70.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 108.649 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 1.037 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -65.15 -32.74 74.59 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.31 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.678 ' CA ' HD21 ' A' ' 350' ' ' LEU . 3.9 ttmt -56.37 -42.32 77.64 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -74.89 -21.56 59.16 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.615 -0.678 . . . . 0.0 109.359 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.348 -0.845 . . . . 0.0 109.771 -179.811 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.33 109.85 20.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.264 -0.898 . . . . 0.0 109.363 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 59.7 m-85 -106.01 142.54 35.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.901 . . . . 0.0 109.377 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.99 HG22 HG22 ' B' ' 329' ' ' THR . 0.3 OUTLIER -99.86 132.32 45.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -0.943 . . . . 0.0 109.589 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -112.43 94.61 5.01 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.403 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.732 ' HG2' HG23 ' B' ' 329' ' ' THR . 37.7 mt-30 -88.43 122.19 31.64 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.161 -0.962 . . . . 0.0 108.935 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.4 125.39 70.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.325 -0.859 . . . . 0.0 109.602 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 39.5 ttt-85 -85.74 100.04 11.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 109.148 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.39 -132.06 2.23 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -179.07 -49.82 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -1.12 . . . . 0.0 108.86 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.25 -44.15 63.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.778 ' HD2' HD13 ' B' ' 348' ' ' LEU . 17.0 mtm180 -67.16 -38.32 85.28 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.547 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 83.1 t80 -65.95 -32.68 74.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 0.0 108.804 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.23 -40.04 78.18 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.29 -0.881 . . . . 0.0 108.696 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 mtm -59.41 -51.59 69.24 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.784 0.802 . . . . 0.0 109.323 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.67 ' CE1' HD11 ' C' ' 344' ' ' LEU . 5.5 m-85 -62.86 -32.48 73.72 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 121.738 0.78 . . . . 0.0 109.218 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.421 ' HG3' ' CE2' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -65.35 -30.07 70.86 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.36 -50.94 10.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.189 -0.945 . . . . 0.0 109.361 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' C' ' 341' ' ' PHE . 1.0 OUTLIER -55.39 -38.44 68.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.161 -0.962 . . . . 0.0 108.722 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.407 ' HA ' HD12 ' A' ' 348' ' ' LEU . 0.3 OUTLIER -76.54 -24.24 53.62 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.489 -0.757 . . . . 0.0 109.291 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -70.27 -38.05 75.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.202 -0.936 . . . . 0.0 109.285 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.525 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -72.21 -44.63 62.65 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.121 -0.987 . . . . 0.0 109.323 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.749 HD13 ' HD2' ' B' ' 337' ' ' ARG . 29.8 mt -56.96 -49.59 75.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 108.586 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.49 -29.78 66.51 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.985 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.1 -31.29 67.59 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.54 ' CA ' HD21 ' D' ' 350' ' ' LEU . 10.7 ttmt -57.88 -39.49 77.96 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -76.78 -25.76 53.73 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.381 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.179 -0.95 . . . . 0.0 109.976 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.24 109.31 18.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.31 -0.869 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -105.9 142.34 35.77 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.206 -0.934 . . . . 0.0 109.639 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.99 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -98.47 139.25 34.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 0.0 109.218 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.547 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.8 OUTLIER -119.35 83.46 2.04 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.719 ' HG2' HG23 ' A' ' 329' ' ' THR . 36.7 mt-30 -78.35 123.3 26.83 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.282 -0.887 . . . . 0.0 109.91 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.29 125.72 69.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.32 -0.862 . . . . 0.0 108.899 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -86.4 99.71 11.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.161 -0.962 . . . . 0.0 109.186 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.15 -131.32 2.06 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -179.2 -50.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.42 -1.047 . . . . 0.0 108.926 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.5 -43.59 66.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.376 -0.828 . . . . 0.0 108.83 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.749 ' HD2' HD13 ' A' ' 348' ' ' LEU . 18.0 mtm180 -67.86 -39.02 83.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.281 -0.887 . . . . 0.0 108.695 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.575 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 83.6 t80 -65.38 -32.48 74.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 108.795 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.21 -41.28 77.29 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 mtm -59.79 -51.69 68.68 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.41 -0.806 . . . . 0.0 108.906 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' D' ' 344' ' ' LEU . 4.6 m-85 -62.94 -29.15 70.58 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.422 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -68.55 -29.85 68.51 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.01 -50.43 12.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.45 -0.781 . . . . 0.0 109.344 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.652 HD11 ' CE1' ' D' ' 341' ' ' PHE . 1.1 mm? -56.34 -36.63 68.98 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.134 -0.979 . . . . 0.0 108.499 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.36 -23.63 46.8 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.429 -0.794 . . . . 0.0 109.262 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -70.82 -37.81 73.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.292 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.582 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -72.12 -44.02 63.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.832 . . . . 0.0 109.202 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.778 HD13 ' HD2' ' A' ' 337' ' ' ARG . 29.1 mt -58.34 -49.57 76.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.128 -0.983 . . . . 0.0 108.829 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.43 -31.87 68.15 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.976 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.8 -33.19 74.33 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.344 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.558 ' CA ' HD21 ' C' ' 350' ' ' LEU . 10.7 ttmt -56.7 -37.87 71.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.429 -0.795 . . . . 0.0 108.949 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -79.12 -24.04 43.66 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.41 -0.806 . . . . 0.0 109.203 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.899 . . . . 0.0 109.511 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.14 109.32 18.96 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -0.883 . . . . 0.0 109.333 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -105.64 142.86 34.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.532 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.996 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -99.67 134.45 42.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 0.0 109.697 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.55 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -114.78 86.27 2.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.305 -0.872 . . . . 0.0 108.907 179.569 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.699 ' HG2' HG23 ' D' ' 329' ' ' THR . 35.7 mt-30 -80.55 122.97 27.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.385 -0.822 . . . . 0.0 109.776 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -125.48 125.31 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.417 -0.802 . . . . 0.0 109.275 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -85.63 100.04 11.69 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.163 -0.961 . . . . 0.0 109.425 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.49 -131.95 2.26 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -178.39 -50.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.372 -1.075 . . . . 0.0 108.968 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.43 -44.2 65.32 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.243 -0.911 . . . . 0.0 108.747 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.742 ' HD2' HD13 ' D' ' 348' ' ' LEU . 17.1 mtm180 -67.43 -38.67 84.93 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.541 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 83.4 t80 -65.55 -33.09 75.11 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.319 -0.863 . . . . 0.0 108.829 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.47 -40.89 80.83 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.276 -0.89 . . . . 0.0 108.673 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.4 mtm -59.95 -51.51 69.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.806 . . . . 0.0 108.868 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 344' ' ' LEU . 4.6 m-85 -63.03 -28.96 70.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.46 -0.775 . . . . 0.0 109.079 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.419 ' HG3' ' CE2' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -68.82 -29.08 67.34 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.3 -0.875 . . . . 0.0 108.765 179.434 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.73 -50.51 11.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.438 -0.789 . . . . 0.0 109.206 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.67 HD11 ' CE1' ' A' ' 341' ' ' PHE . 1.0 OUTLIER -56.52 -36.71 69.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.18 -0.95 . . . . 0.0 108.582 179.562 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.403 ' OD1' ' CE2' ' D' ' 341' ' ' PHE . 0.3 OUTLIER -78.33 -23.22 47.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.501 -0.75 . . . . 0.0 109.242 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -72.08 -37.25 69.63 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.265 -0.897 . . . . 0.0 109.237 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.641 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -72.76 -41.05 65.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.259 -0.901 . . . . 0.0 109.156 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.703 HD13 ' HD2' ' D' ' 337' ' ' ARG . 28.5 mt -61.4 -48.79 79.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.982 . . . . 0.0 108.83 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.65 -31.5 68.21 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.976 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -68.37 -32.41 72.48 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.567 ' CA ' HD21 ' B' ' 350' ' ' LEU . 10.7 ttmt -57.33 -37.24 72.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.435 -0.791 . . . . 0.0 108.968 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.53 -24.14 42.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.367 -0.833 . . . . 0.0 109.173 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.297 -0.877 . . . . 0.0 109.528 179.825 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.29 109.28 18.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.319 -0.863 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.407 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 59.4 m-85 -105.53 142.66 34.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.503 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.996 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -99.62 134.62 42.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.384 -0.823 . . . . 0.0 109.64 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.541 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.8 OUTLIER -114.86 86.1 2.38 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.259 -0.9 . . . . 0.0 108.949 179.57 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.722 ' HG2' HG23 ' C' ' 329' ' ' THR . 35.8 mt-30 -80.32 122.81 27.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 0.0 109.731 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -125.02 125.15 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.305 -0.872 . . . . 0.0 109.344 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -85.4 100.25 11.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.094 -1.004 . . . . 0.0 109.535 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.11 -132.2 2.35 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -177.93 -50.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.311 -1.111 . . . . 0.0 108.972 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.29 -44.35 65.38 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.329 -0.857 . . . . 0.0 108.789 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.703 ' HD2' HD13 ' C' ' 348' ' ' LEU . 16.9 mtm180 -67.08 -38.82 86.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.303 -0.873 . . . . 0.0 108.694 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.55 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 83.0 t80 -65.44 -33.33 75.7 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.25 -40.82 81.85 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.3 mtm -60.23 -51.01 71.38 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.368 -0.833 . . . . 0.0 108.93 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' B' ' 344' ' ' LEU . 4.5 m-85 -63.55 -28.5 69.98 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.457 -0.777 . . . . 0.0 109.012 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.408 ' HG3' ' CE2' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -69.09 -29.28 67.34 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.364 -0.835 . . . . 0.0 108.761 179.434 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.47 -50.74 11.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.442 -0.786 . . . . 0.0 109.147 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.652 HD11 ' CE1' ' B' ' 341' ' ' PHE . 0.8 OUTLIER -56.3 -36.88 69.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 108.638 179.569 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.26 -23.35 47.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.446 -0.784 . . . . 0.0 109.221 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -71.25 -37.75 71.94 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.912 . . . . 0.0 109.23 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.656 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.71 -43.97 64.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.284 -0.885 . . . . 0.0 109.103 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.742 HD13 ' HD2' ' C' ' 337' ' ' ARG . 29.7 mt -58.73 -49.53 77.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 108.865 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.44 -31.78 68.07 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.239 -0.913 . . . . 0.0 108.554 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.985 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -67.88 -33.07 74.02 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.59 ' CA ' HD21 ' A' ' 350' ' ' LEU . 10.6 ttmt -56.84 -37.81 71.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.312 -0.867 . . . . 0.0 108.949 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -79.12 -24.08 43.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 109.196 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.247 -0.908 . . . . 0.0 109.533 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -100.56 121.79 42.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.352 -0.842 . . . . 0.0 109.539 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 81.0 m-85 -115.72 161.17 19.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 0.0 109.397 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.148 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -120.82 135.25 55.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.325 -0.86 . . . . 0.0 109.484 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.668 HD21 ' OD1' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -115.84 93.6 4.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.488 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.748 ' HG3' HG23 ' B' ' 329' ' ' THR . 1.0 OUTLIER -89.79 116.52 27.95 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.236 -0.915 . . . . 0.0 109.126 -179.192 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.536 HD11 HD22 ' A' ' 330' ' ' LEU . 5.9 mt -120.07 142.22 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.485 -0.759 . . . . 0.0 109.565 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -92.14 131.39 37.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.495 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.64 -133.38 6.91 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -173.03 -64.67 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.223 -1.163 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.95 -51.67 55.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.317 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.76 ' HG2' HD13 ' B' ' 348' ' ' LEU . 1.4 mtm180 -57.21 -46.6 82.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.089 -1.007 . . . . 0.0 109.036 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 62.1 t80 -55.65 -29.17 58.81 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.234 -0.916 . . . . 0.0 109.249 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -72.19 -40.02 68.21 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.016 -1.053 . . . . 0.0 109.094 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.456 ' O ' HD23 ' A' ' 344' ' ' LEU . 9.2 mtm -62.59 -42.58 99.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.0 109.683 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.8 ' CE1' HD11 ' C' ' 344' ' ' LEU . 6.3 m-85 -70.42 -34.52 72.6 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.655 0.74 . . . . 0.0 109.499 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 44.2 ttt180 -60.25 -41.69 93.75 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -39.19 61.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.872 . . . . 0.0 109.76 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 1.012 HD12 HD12 ' D' ' 344' ' ' LEU . 0.5 OUTLIER -56.13 -57.52 11.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.153 -0.967 . . . . 0.0 109.159 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.671 ' OD1' HD21 ' B' ' 330' ' ' LEU . 0.2 OUTLIER -66.88 -22.38 65.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 109.979 -179.559 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 9.1 tt0 -64.88 -41.7 95.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.069 -1.019 . . . . 0.0 109.515 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.885 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -72.75 -48.51 37.83 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.298 -0.876 . . . . 0.0 109.872 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.961 HD23 ' HB2' ' D' ' 347' ' ' ALA . 60.7 mt -51.26 -50.91 58.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.094 -1.004 . . . . 0.0 108.776 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.93 -31.36 70.89 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.215 -0.928 . . . . 0.0 108.555 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.02 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.08 -30.07 70.99 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 120.97 -1.081 . . . . 0.0 108.262 179.285 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.479 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 17.6 tttt -62.18 -46.42 89.02 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.06 -31.21 68.66 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.932 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.236 -0.915 . . . . 0.0 109.883 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -101.11 122.11 43.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.243 -0.91 . . . . 0.0 109.428 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.544 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 80.5 m-85 -117.05 159.57 22.34 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.21 -0.932 . . . . 0.0 109.68 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.148 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.52 143.88 45.63 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.0 109.184 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.671 HD21 ' OD1' ' A' ' 345' ' ' ASN . 0.2 OUTLIER -124.35 82.14 2.01 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.626 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.574 ' HG3' HG23 ' A' ' 329' ' ' THR . 0.9 OUTLIER -79.36 118.51 21.33 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.425 -0.797 . . . . 0.0 110.123 -179.089 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.56 HD11 HD22 ' B' ' 330' ' ' LEU . 6.1 mt -121.82 141.1 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.437 -0.789 . . . . 0.0 109.158 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -91.39 131.51 36.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.219 -0.926 . . . . 0.0 109.431 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.85 -133.56 6.97 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -173.17 -64.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.201 -1.176 . . . . 0.0 109.423 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -51.64 -51.14 58.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.92 . . . . 0.0 109.365 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.728 ' HG2' HD13 ' A' ' 348' ' ' LEU . 1.4 mtm180 -57.51 -48.09 80.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 61.6 t80 -54.44 -28.8 46.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.173 -0.954 . . . . 0.0 109.285 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -72.48 -41.2 66.27 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.228 -0.92 . . . . 0.0 109.092 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.45 ' O ' HD23 ' B' ' 344' ' ' LEU . 11.4 mtm -62.94 -42.72 99.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.327 -0.858 . . . . 0.0 109.104 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.771 ' CE1' HD11 ' D' ' 344' ' ' LEU . 5.2 m-85 -70.33 -31.46 68.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.392 -0.818 . . . . 0.0 109.214 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 46.3 ttt180 -63.43 -40.45 97.2 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.248 -0.908 . . . . 0.0 109.173 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -38.27 58.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.377 -0.827 . . . . 0.0 109.666 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.983 HD12 HD12 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -57.56 -54.97 40.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.139 -0.976 . . . . 0.0 109.135 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.668 ' OD1' HD21 ' A' ' 330' ' ' LEU . 0.2 OUTLIER -68.99 -22.65 64.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 109.81 -179.579 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 8.9 tt0 -64.99 -42.65 94.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.109 -0.994 . . . . 0.0 109.499 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.899 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -70.99 -50.11 37.87 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.324 -0.86 . . . . 0.0 109.622 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.998 HD23 ' HB2' ' C' ' 347' ' ' ALA . 67.0 mt -50.17 -51.71 41.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.103 -0.998 . . . . 0.0 109.198 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.61 -33.27 72.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.284 -0.885 . . . . 0.0 108.618 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -62.44 -31.66 72.4 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.488 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 17.9 tttt -60.92 -46.09 92.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.477 -0.764 . . . . 0.0 108.968 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -27.91 67.5 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.412 -0.805 . . . . 0.0 109.099 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.304 -0.873 . . . . 0.0 109.401 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -101.45 121.93 42.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 0.0 109.38 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 79.8 m-85 -115.93 160.8 19.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.199 -0.938 . . . . 0.0 109.511 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 329' ' ' THR . . . . . 1.072 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -120.09 138.09 53.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.247 -0.908 . . . . 0.0 109.465 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.677 HD21 ' OD1' ' D' ' 345' ' ' ASN . 0.2 OUTLIER -118.61 84.87 2.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.345 -0.847 . . . . 0.0 108.939 179.796 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.679 ' HG3' HG23 ' D' ' 329' ' ' THR . 0.9 OUTLIER -81.64 118.4 22.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.267 -0.895 . . . . 0.0 109.973 -179.441 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.562 HD11 HD22 ' C' ' 330' ' ' LEU . 6.1 mt -121.8 141.92 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.363 -0.836 . . . . 0.0 109.137 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -92.01 131.0 37.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.226 -0.921 . . . . 0.0 109.662 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.86 -133.81 7.11 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.69 -64.55 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -1.189 . . . . 0.0 109.388 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.54 -51.0 58.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.759 ' HG2' HD13 ' D' ' 348' ' ' LEU . 1.5 mtm180 -57.9 -47.36 83.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.244 -0.91 . . . . 0.0 109.175 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 62.3 t80 -55.04 -29.29 57.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.278 -0.889 . . . . 0.0 109.327 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -71.72 -41.45 68.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.197 -0.939 . . . . 0.0 109.181 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.406 ' O ' HD23 ' C' ' 344' ' ' LEU . 11.2 mtm -62.72 -42.3 99.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 0.0 109.156 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.761 ' CE1' HD11 ' A' ' 344' ' ' LEU . 5.2 m-85 -70.58 -31.91 69.09 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.366 -0.834 . . . . 0.0 109.21 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 46.1 ttt180 -62.75 -40.61 97.79 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.302 -0.874 . . . . 0.0 109.156 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.83 -38.07 58.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.357 -0.839 . . . . 0.0 109.768 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.983 HD12 HD12 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -57.57 -54.63 44.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.181 -0.949 . . . . 0.0 109.154 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.694 ' OD1' HD21 ' D' ' 330' ' ' LEU . 0.2 OUTLIER -69.58 -22.42 63.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.879 . . . . 0.0 109.853 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 9.0 tt0 -65.04 -42.11 94.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.933 -1.104 . . . . 0.0 109.357 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.998 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -71.5 -49.61 39.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.297 -0.877 . . . . 0.0 109.567 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.889 HD23 ' HB2' ' B' ' 347' ' ' ALA . 66.5 mt -50.8 -51.33 51.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.112 -0.992 . . . . 0.0 109.152 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.75 -33.11 72.43 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -62.84 -31.07 72.01 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.301 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.472 ' N ' ' HG ' ' C' ' 350' ' ' LEU . 17.9 tttt -61.09 -46.31 91.15 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -27.98 67.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.12 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.455 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.268 0.556 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -101.39 122.08 43.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -0.924 . . . . 0.0 109.377 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 79.4 m-85 -116.09 160.83 19.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 0.0 109.499 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 329' ' ' THR . . . . . 1.072 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -120.14 138.1 53.78 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.224 -0.923 . . . . 0.0 109.556 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.694 HD21 ' OD1' ' C' ' 345' ' ' ASN . 0.2 OUTLIER -118.59 84.68 2.22 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.334 -0.854 . . . . 0.0 108.982 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.704 ' HG3' HG23 ' C' ' 329' ' ' THR . 0.9 OUTLIER -81.45 118.37 22.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.316 -0.865 . . . . 0.0 109.965 -179.427 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.555 HD11 HD22 ' D' ' 330' ' ' LEU . 6.0 mt -121.63 141.74 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.318 -0.864 . . . . 0.0 109.342 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -91.8 131.68 36.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.956 . . . . 0.0 109.675 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.33 -133.85 7.2 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.61 -64.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -1.132 . . . . 0.0 109.418 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -51.66 -51.12 58.37 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.24 -0.912 . . . . 0.0 109.279 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.725 ' HG2' HD13 ' C' ' 348' ' ' LEU . 1.5 mtm180 -57.56 -47.54 81.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.186 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 62.3 t80 -54.8 -29.34 54.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.336 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -71.79 -41.41 68.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.0 109.165 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.3 mtm -62.64 -42.59 99.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -0.884 . . . . 0.0 109.14 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.77 ' CE1' HD11 ' B' ' 344' ' ' LEU . 5.1 m-85 -70.33 -31.52 68.86 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.397 -0.814 . . . . 0.0 109.194 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 45.8 ttt180 -63.28 -40.37 97.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.348 -0.845 . . . . 0.0 109.193 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -38.18 58.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.457 -0.777 . . . . 0.0 109.767 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -57.52 -55.11 39.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 0.0 109.13 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.677 ' OD1' HD21 ' C' ' 330' ' ' LEU . 0.2 OUTLIER -69.07 -22.26 64.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.264 -0.897 . . . . 0.0 109.992 -179.555 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 8.9 tt0 -65.15 -41.85 94.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.025 -1.047 . . . . 0.0 109.359 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.961 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.54 -50.48 30.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.275 -0.891 . . . . 0.0 109.548 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.866 HD23 ' HB2' ' A' ' 347' ' ' ALA . 67.4 mt -49.88 -51.66 38.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 109.062 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -60.7 -33.38 72.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.342 -0.849 . . . . 0.0 108.725 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 1.02 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -62.41 -31.29 71.95 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.266 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.484 ' N ' ' HG ' ' D' ' 350' ' ' LEU . 17.9 tttt -61.14 -45.95 92.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.578 -0.701 . . . . 0.0 109.111 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -27.25 67.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.398 -0.814 . . . . 0.0 109.133 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.289 -0.882 . . . . 0.0 109.545 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.567 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 2.0 m-85 -100.82 122.39 43.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.929 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 62.2 m-85 -116.16 165.8 12.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.161 -0.962 . . . . 0.0 109.533 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.03 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -134.89 136.15 42.15 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.22 -0.925 . . . . 0.0 109.953 -179.222 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.764 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -114.1 95.31 5.23 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.13 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 12.8 tt0 -88.64 110.1 20.66 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.263 -0.898 . . . . 0.0 108.959 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.51 124.06 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.501 -0.749 . . . . 0.0 109.893 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.521 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 4.6 tmm_? -86.23 100.77 12.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 108.625 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.04 -131.05 2.1 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -175.8 -51.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -1.076 . . . . 0.0 109.005 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.25 -45.94 58.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.172 -0.955 . . . . 0.0 108.89 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.636 ' HD3' HD22 ' B' ' 348' ' ' LEU . 43.1 mtm-85 -61.86 -43.19 99.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.264 -0.898 . . . . 0.0 108.747 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.73 ' CE1' HD12 ' B' ' 330' ' ' LEU . 66.0 t80 -59.49 -37.74 79.02 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.274 -0.891 . . . . 0.0 108.776 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 342' ' ' ARG . 0.9 OUTLIER -61.78 -44.65 96.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.248 -0.907 . . . . 0.0 108.826 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.453 ' SD ' ' OE2' ' C' ' 343' ' ' GLU . 10.8 mtp -51.98 -53.02 46.41 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.927 0.87 . . . . 0.0 109.588 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CE1' HD11 ' C' ' 344' ' ' LEU . 5.2 m-85 -62.31 -29.79 70.69 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.931 0.872 . . . . 0.0 109.199 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 339' ' ' GLU . 9.8 mtp180 -62.94 -38.55 91.51 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.463 ' HG2' ' HE1' ' C' ' 340' ' ' MET . 1.1 tt0 -69.32 -48.21 62.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.184 -0.948 . . . . 0.0 109.17 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' C' ' 341' ' ' PHE . 1.2 mm? -60.72 -29.13 69.16 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.538 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.4 t-20 -80.59 -24.2 39.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.12 -42.16 66.37 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.613 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -67.46 -47.68 69.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 109.237 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' D' ' 347' ' ' ALA . 26.3 mt -58.38 -43.92 88.67 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 349' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 345' ' ' ASN . 1.8 tt0 -64.0 -26.58 68.63 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.046 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -72.37 -25.82 61.66 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.088 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 27.9 tttt -66.89 -43.18 84.12 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -72.67 -22.26 60.95 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.266 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 109.91 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.521 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 2.0 m-85 -100.57 122.63 43.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 109.561 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 61.3 m-85 -117.56 163.68 16.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.199 -0.938 . . . . 0.0 109.558 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.03 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -131.86 144.26 50.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 109.651 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.73 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -121.3 86.13 2.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 8.5 tt0 -79.21 111.74 15.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.912 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -111.96 123.74 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.517 -0.739 . . . . 0.0 109.389 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 4.5 tmm_? -86.59 98.88 11.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.372 -0.83 . . . . 0.0 109.071 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.31 -130.75 1.98 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -175.02 -51.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.288 -1.125 . . . . 0.0 109.115 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.05 -44.44 63.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.17 -0.956 . . . . 0.0 108.956 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.581 ' HD3' HD22 ' A' ' 348' ' ' LEU . 40.8 mtm-85 -63.13 -44.38 95.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.223 -0.923 . . . . 0.0 108.966 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.764 ' CE1' HD12 ' A' ' 330' ' ' LEU . 65.9 t80 -58.28 -38.55 77.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.233 -0.917 . . . . 0.0 108.767 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' B' ' 342' ' ' ARG . 0.9 OUTLIER -61.17 -46.31 91.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 108.616 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.475 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 12.0 mtp -51.28 -54.25 27.75 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.498 -0.751 . . . . 0.0 108.979 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' D' ' 344' ' ' LEU . 3.9 m-85 -62.1 -26.13 68.11 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' B' ' 339' ' ' GLU . 9.7 mtp180 -66.12 -38.12 87.4 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.444 -0.785 . . . . 0.0 109.031 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.475 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 1.1 tt0 -69.11 -47.86 64.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.827 . . . . 0.0 108.941 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.542 HD12 HD12 ' C' ' 344' ' ' LEU . 1.1 mm? -61.66 -26.48 68.04 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.575 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.4 t-20 -83.8 -22.34 31.85 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.92 -41.53 61.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.466 -0.771 . . . . 0.0 109.017 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.658 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -66.81 -49.18 66.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.413 -0.804 . . . . 0.0 108.913 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.636 HD22 ' HD3' ' A' ' 337' ' ' ARG . 26.0 mt -58.04 -44.08 87.18 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 349' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' B' ' 345' ' ' ASN . 1.8 tt0 -63.84 -27.14 68.96 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 1.032 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -71.23 -27.28 63.36 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.193 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -65.94 -42.31 90.22 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -73.43 -21.83 60.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.372 -0.83 . . . . 0.0 109.166 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.606 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.602 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 1.9 m-85 -100.51 122.44 43.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.143 -0.973 . . . . 0.0 109.485 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 60.1 m-85 -116.09 166.37 12.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.971 . . . . 0.0 109.544 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 329' ' ' THR . . . . . 1.024 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -135.25 139.25 44.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.227 -0.921 . . . . 0.0 109.954 -179.541 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.786 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -117.08 88.01 2.82 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -80.9 111.84 17.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.762 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.12 124.11 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.311 -0.868 . . . . 0.0 109.563 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.592 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 4.4 tmm_? -86.36 99.28 11.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.271 -0.893 . . . . 0.0 109.273 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.77 -131.46 2.17 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -174.42 -51.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -1.096 . . . . 0.0 109.057 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.49 -45.15 63.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.144 -0.972 . . . . 0.0 108.896 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.629 ' HD3' HD22 ' D' ' 348' ' ' LEU . 40.8 mtm-85 -62.57 -43.79 97.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.261 -0.9 . . . . 0.0 108.878 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' D' ' 330' ' ' LEU . 66.0 t80 -58.71 -38.94 79.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.304 -0.872 . . . . 0.0 108.845 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' C' ' 342' ' ' ARG . 0.9 OUTLIER -60.63 -46.17 91.29 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.296 -0.877 . . . . 0.0 108.688 179.39 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.463 ' HE1' ' HG2' ' A' ' 343' ' ' GLU . 13.0 mtp -51.45 -53.74 33.98 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.348 -0.845 . . . . 0.0 108.969 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 344' ' ' LEU . 4.0 m-85 -62.53 -25.91 68.28 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.422 -0.799 . . . . 0.0 109.008 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' C' ' 339' ' ' GLU . 10.2 mtp180 -66.34 -37.61 85.74 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.382 -0.823 . . . . 0.0 109.049 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.453 ' OE2' ' SD ' ' A' ' 340' ' ' MET . 1.1 tt0 -69.39 -47.75 63.28 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.876 . . . . 0.0 108.918 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 341' ' ' PHE . 1.2 mm? -61.87 -26.55 68.22 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.592 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.5 t-20 -84.09 -21.84 31.35 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.55 -41.45 60.55 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.636 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -67.22 -46.65 73.2 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.425 -0.797 . . . . 0.0 109.143 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.6 HD22 ' HD3' ' D' ' 337' ' ' ARG . 25.2 mt -60.56 -43.33 97.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.131 -0.981 . . . . 0.0 108.442 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 349' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' C' ' 345' ' ' ASN . 1.8 tt0 -64.12 -26.88 68.73 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 1.032 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.4 -26.86 62.94 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.303 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -66.22 -42.38 88.78 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -73.65 -21.1 60.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.427 -0.796 . . . . 0.0 109.144 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 O-C-N 121.312 -0.867 . . . . 0.0 109.461 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.592 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 2.0 m-85 -100.91 122.41 43.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 0.0 109.473 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -116.07 165.98 12.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 0.0 109.498 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 329' ' ' THR . . . . . 1.024 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -134.85 139.49 45.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.169 -0.957 . . . . 0.0 109.942 -179.647 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.791 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -116.94 88.16 2.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.351 -0.843 . . . . 0.0 108.754 179.448 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 9.1 tt0 -81.08 112.07 18.11 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.26 -0.9 . . . . 0.0 109.725 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.18 123.83 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.334 -0.854 . . . . 0.0 109.48 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.602 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 4.4 tmm_? -86.47 99.48 11.69 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.3 -0.875 . . . . 0.0 109.339 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.46 -131.29 2.15 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -174.25 -52.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -1.127 . . . . 0.0 109.033 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.36 -44.84 64.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.186 -0.946 . . . . 0.0 108.888 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.6 ' HD3' HD22 ' C' ' 348' ' ' LEU . 40.5 mtm-85 -62.92 -43.89 97.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.225 -0.922 . . . . 0.0 108.82 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.786 ' CE1' HD12 ' C' ' 330' ' ' LEU . 66.0 t80 -58.57 -39.0 79.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.232 -0.918 . . . . 0.0 108.785 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' D' ' 342' ' ' ARG . 0.9 OUTLIER -60.71 -46.08 91.75 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.475 ' HE1' ' HG2' ' B' ' 343' ' ' GLU . 13.3 mtp -51.48 -53.95 32.11 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.375 -0.828 . . . . 0.0 108.995 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' B' ' 344' ' ' LEU . 3.9 m-85 -62.24 -25.88 68.06 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' D' ' 339' ' ' GLU . 10.2 mtp180 -66.31 -38.11 86.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.487 -0.758 . . . . 0.0 109.091 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.475 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 1.1 tt0 -69.12 -47.84 64.06 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.323 -0.86 . . . . 0.0 108.974 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' B' ' 341' ' ' PHE . 1.1 mm? -61.73 -26.6 68.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.589 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.5 t-20 -83.86 -21.88 31.86 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.09 -41.46 61.64 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.641 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -66.49 -49.43 66.6 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.362 -0.836 . . . . 0.0 109.037 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.629 HD22 ' HD3' ' C' ' 337' ' ' ARG . 25.7 mt -58.09 -43.85 87.28 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 349' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' D' ' 345' ' ' ASN . 1.8 tt0 -64.12 -26.89 68.74 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 1.046 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -71.24 -27.31 63.37 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.181 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -66.2 -42.33 88.95 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -73.5 -21.65 60.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.405 -0.809 . . . . 0.0 109.048 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 109.422 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 326' ' ' GLU . . . . . 0.467 ' HB3' ' CE2' ' A' ' 328' ' ' PHE . 2.7 tt0 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -105.58 120.29 41.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.92 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 91.6 m-85 -115.81 142.13 47.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.558 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.138 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -104.7 126.25 51.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.378 -0.826 . . . . 0.0 109.303 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.588 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -107.44 93.91 4.8 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.69 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.683 ' HG2' HG23 ' B' ' 329' ' ' THR . 66.2 mt-30 -88.64 109.07 19.81 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.09 -1.006 . . . . 0.0 108.68 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -112.55 140.19 33.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.415 -0.803 . . . . 0.0 109.575 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -94.15 138.63 31.97 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.31 -0.869 . . . . 0.0 109.206 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 134.08 -126.78 4.33 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 35.4 ttm180 177.48 -46.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.356 -1.085 . . . . 0.0 108.805 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.62 -55.41 6.32 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.388 -0.82 . . . . 0.0 108.972 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.725 ' HG2' HD13 ' B' ' 348' ' ' LEU . 1.5 ttm180 -53.59 -47.4 70.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.873 . . . . 0.0 109.108 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.564 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 85.3 t80 -57.0 -32.95 66.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 109.251 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -40.8 76.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 0.0 109.344 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.567 ' O ' HD22 ' A' ' 344' ' ' LEU . 14.2 mtm -53.83 -54.77 33.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.888 . . . . 0.0 109.56 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.581 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 15.3 m-85 -60.66 -38.97 86.64 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.848 0.832 . . . . 0.0 109.302 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 2.2 ttp180 -50.09 -38.33 38.07 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.26 -56.8 4.46 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.471 -0.768 . . . . 0.0 109.947 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.81 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.4 mm? -44.97 -59.43 2.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.106 -0.996 . . . . 0.0 109.898 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.937 ' HA ' HD12 ' A' ' 348' ' ' LEU . 1.9 p30 -62.47 -27.27 69.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 110.15 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 1.2 tp10 -62.76 -44.78 95.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.032 -1.042 . . . . 0.0 109.77 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -72.38 -39.67 67.86 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.146 -0.972 . . . . 0.0 109.78 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 345' ' ' ASN . 20.2 mt -54.75 -51.48 65.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 0.0 108.628 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -61.93 -29.67 70.38 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.931 ' O ' HD12 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -68.04 -27.75 66.79 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 120.897 -1.127 . . . . 0.0 107.998 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.698 ' CA ' HD21 ' D' ' 350' ' ' LEU . 2.2 ttpt -64.8 -45.43 86.27 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -58.23 -35.73 72.13 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 119.626 -0.83 . . . . 0.0 108.77 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 109.397 179.772 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.458 ' HB3' ' CE2' ' B' ' 328' ' ' PHE . 2.8 tt0 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -105.72 120.81 42.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.289 -0.882 . . . . 0.0 109.221 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 338' ' ' PHE . 90.4 m-85 -116.64 141.96 47.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -0.923 . . . . 0.0 109.807 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.138 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -103.17 133.65 47.91 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.0 108.988 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.564 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 1.0 OUTLIER -114.79 82.35 1.71 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.283 -0.885 . . . . 0.0 108.734 179.738 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.619 ' CG ' HG23 ' A' ' 329' ' ' THR . 68.6 mt-30 -78.65 108.28 11.95 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.287 -0.883 . . . . 0.0 109.794 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -111.84 140.36 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.326 -0.859 . . . . 0.0 109.172 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -94.42 138.22 32.63 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.298 -0.876 . . . . 0.0 109.295 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 133.93 -126.26 4.19 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 35.8 ttm180 177.65 -46.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.394 -1.062 . . . . 0.0 109.023 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.38 -54.83 7.37 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.326 -0.859 . . . . 0.0 109.076 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.707 ' HG2' HD13 ' A' ' 348' ' ' LEU . 1.9 ttm180 -53.93 -48.59 70.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.869 . . . . 0.0 109.22 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.588 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 84.3 t80 -55.87 -32.32 63.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.237 -0.915 . . . . 0.0 109.443 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -42.12 71.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.242 -0.911 . . . . 0.0 109.133 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.548 ' O ' HD22 ' B' ' 344' ' ' LEU . 19.5 mtm -53.81 -56.26 19.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 108.842 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.581 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 19.3 m-85 -58.73 -39.05 79.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.34 -0.85 . . . . 0.0 108.963 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.3 ttp180 -50.43 -36.9 35.27 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.509 -0.744 . . . . 0.0 109.448 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' B' ' 344' ' ' LEU . 5.2 tp10 -75.53 -56.41 4.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.42 -0.8 . . . . 0.0 109.96 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.825 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.4 mm? -45.47 -59.2 2.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.196 -0.94 . . . . 0.0 109.651 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.932 ' HA ' HD12 ' B' ' 348' ' ' LEU . 1.6 p30 -61.79 -27.55 68.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.955 . . . . 0.0 109.938 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 1.2 tp10 -63.69 -43.58 96.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.108 -0.995 . . . . 0.0 109.923 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.44 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -73.7 -38.8 64.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.043 -1.036 . . . . 0.0 109.508 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.932 HD12 ' HA ' ' B' ' 345' ' ' ASN . 20.5 mt -55.41 -52.26 64.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.222 -0.924 . . . . 0.0 108.781 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -60.69 -33.94 73.62 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.934 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -62.39 -31.24 71.88 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 179.369 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.731 ' CA ' HD21 ' C' ' 350' ' ' LEU . 2.2 ttpt -62.74 -46.0 90.08 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.393 -0.817 . . . . 0.0 108.93 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -57.84 -34.25 69.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.414 -0.804 . . . . 0.0 108.979 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.414 0 O-C-N 121.352 -0.843 . . . . 0.0 109.45 179.854 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 326' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' C' ' 328' ' ' PHE . 2.8 tt0 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -105.97 120.43 41.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.32 -0.862 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.603 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 89.4 m-85 -115.66 142.48 46.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 0.0 109.589 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.968 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -104.75 128.78 52.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 109.363 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 1.0 OUTLIER -109.98 85.57 2.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 0.0 109.262 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.621 ' CG ' HG23 ' D' ' 329' ' ' THR . 68.5 mt-30 -81.47 108.02 14.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.232 -0.917 . . . . 0.0 109.697 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.73 140.97 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.389 -0.82 . . . . 0.0 109.253 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 20.3 ttp180 -94.9 138.34 32.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.157 -0.964 . . . . 0.0 109.523 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 133.45 -126.85 4.47 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 35.6 ttm180 178.66 -45.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -1.143 . . . . 0.0 109.035 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.38 -55.1 6.83 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.359 -0.838 . . . . 0.0 109.066 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.715 ' HG2' HD13 ' D' ' 348' ' ' LEU . 1.8 ttm180 -53.88 -47.72 70.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.256 -0.902 . . . . 0.0 109.209 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.603 ' CZ ' ' HB3' ' D' ' 328' ' ' PHE . 85.2 t80 -56.7 -32.86 65.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 109.41 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -41.97 74.52 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.961 . . . . 0.0 109.218 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.549 ' O ' HD22 ' C' ' 344' ' ' LEU . 20.6 mtm -53.82 -55.67 24.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.215 -0.928 . . . . 0.0 108.95 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 19.7 m-85 -59.15 -39.24 81.81 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.312 -0.867 . . . . 0.0 108.871 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.0 ttp180 -49.97 -36.54 28.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.435 -0.791 . . . . 0.0 109.476 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.14 -56.35 4.73 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.319 -0.863 . . . . 0.0 109.937 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.825 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.4 mm? -45.36 -59.21 2.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.179 -0.951 . . . . 0.0 109.808 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.935 ' HA ' HD12 ' C' ' 348' ' ' LEU . 1.9 p30 -62.39 -27.36 69.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.098 -1.001 . . . . 0.0 110.051 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 1.2 tp10 -63.97 -43.27 96.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.088 -1.007 . . . . 0.0 109.888 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.492 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -74.04 -36.97 64.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.244 -0.91 . . . . 0.0 109.39 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.935 HD12 ' HA ' ' C' ' 345' ' ' ASN . 20.5 mt -57.2 -51.89 67.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.099 -1.0 . . . . 0.0 108.886 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -60.57 -33.63 72.99 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.286 -0.884 . . . . 0.0 108.687 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.934 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -63.02 -30.62 71.75 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.429 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.766 ' CA ' HD21 ' B' ' 350' ' ' LEU . 2.3 ttpt -63.27 -45.86 89.53 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.93 -34.24 69.66 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.376 -0.827 . . . . 0.0 109.021 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.875 . . . . 0.0 109.428 179.762 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 326' ' ' GLU . . . . . 0.453 ' HB3' ' CE2' ' D' ' 328' ' ' PHE . 2.8 tt0 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 6.0 m-85 -105.53 120.49 41.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.306 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.603 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 89.9 m-85 -115.78 142.44 46.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.122 -0.986 . . . . 0.0 109.587 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.968 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -104.68 129.04 52.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 109.336 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.586 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 1.0 OUTLIER -110.32 85.42 2.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 0.0 109.185 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.622 ' CG ' HG23 ' C' ' 329' ' ' THR . 68.5 mt-30 -81.15 107.99 14.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.18 -0.95 . . . . 0.0 109.699 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.6 141.06 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.258 -0.901 . . . . 0.0 109.285 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -94.9 138.51 32.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.924 . . . . 0.0 109.508 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 133.08 -126.89 4.55 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 35.6 ttm180 178.93 -45.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.329 -1.1 . . . . 0.0 108.98 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.4 -55.43 6.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.355 -0.84 . . . . 0.0 109.075 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.711 ' HG2' HD13 ' C' ' 348' ' ' LEU . 1.7 ttm180 -53.6 -47.55 70.07 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.37 -0.831 . . . . 0.0 109.2 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.603 ' CZ ' ' HB3' ' C' ' 328' ' ' PHE . 84.8 t80 -56.76 -33.09 66.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 0.0 109.327 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -42.16 75.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 0.0 109.116 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.489 ' O ' HD22 ' D' ' 344' ' ' LEU . 19.9 mtm -53.57 -56.05 20.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.0 109.032 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 19.3 m-85 -58.74 -39.07 79.84 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.319 -0.863 . . . . 0.0 108.926 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 ttp180 -50.21 -36.65 31.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.85 . . . . 0.0 109.507 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.84 -56.16 4.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.904 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.4 mm? -45.56 -59.02 2.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.175 -0.953 . . . . 0.0 109.892 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.941 ' HA ' HD12 ' D' ' 348' ' ' LEU . 2.0 p30 -62.78 -26.77 68.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.088 -1.008 . . . . 0.0 110.064 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.509 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 1.2 tp10 -63.98 -43.61 95.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.1 -1.0 . . . . 0.0 109.793 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.505 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -73.4 -39.0 65.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.124 -0.985 . . . . 0.0 109.419 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.941 HD12 ' HA ' ' D' ' 345' ' ' ASN . 19.7 mt -55.49 -52.02 65.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.196 -0.94 . . . . 0.0 108.863 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.69 -34.26 74.09 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.288 -0.882 . . . . 0.0 108.67 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.929 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -62.13 -31.11 71.54 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.767 ' CA ' HD21 ' A' ' 350' ' ' LEU . 2.3 ttpt -62.95 -46.54 87.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.446 -0.784 . . . . 0.0 108.906 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.28 -33.87 68.08 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.467 -0.77 . . . . 0.0 108.945 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 0.0 109.415 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.507 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 6.4 m-85 -102.47 108.91 20.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.219 -0.925 . . . . 0.0 109.365 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 54.7 m-85 -98.04 170.58 8.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.163 -0.961 . . . . 0.0 108.865 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.099 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -138.33 130.49 28.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.167 -0.958 . . . . 0.0 110.116 -179.231 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.824 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -110.94 97.34 6.75 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.241 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.533 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.4 mt-30 -86.75 112.2 21.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.155 -0.965 . . . . 0.0 108.834 -179.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -110.36 113.75 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.513 -0.742 . . . . 0.0 109.809 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.493 ' HG2' ' CZ ' ' B' ' 327' ' ' TYR . 37.6 mtm180 -77.19 97.88 4.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.188 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 171.48 -118.6 0.75 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 5.0 ttm180 173.14 -66.12 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.513 -0.992 . . . . 0.0 109.119 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.01 -51.22 70.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.292 -0.88 . . . . 0.0 109.052 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 340' ' ' MET . 8.4 mtm105 -56.12 -40.55 73.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 108.791 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.883 ' CE1' HD12 ' B' ' 330' ' ' LEU . 71.1 t80 -57.94 -40.98 81.8 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.318 -0.864 . . . . 0.0 108.894 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 342' ' ' ARG . 19.7 mt-10 -61.13 -39.77 91.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.137 -0.977 . . . . 0.0 108.674 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 3.1 mtp -53.48 -49.93 66.42 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.991 0.9 . . . . 0.0 109.285 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.632 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.2 m-85 -66.4 -29.41 69.57 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.705 0.764 . . . . 0.0 109.223 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -60.52 -38.15 83.47 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.446 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 49.1 tp10 -70.59 -49.13 51.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.901 . . . . 0.0 108.726 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.72 HD12 HD12 ' D' ' 344' ' ' LEU . 1.1 mm? -59.77 -23.9 63.64 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.54 ' ND2' HD23 ' B' ' 330' ' ' LEU . 1.0 OUTLIER -85.76 -26.25 25.92 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 350' ' ' LEU . 20.7 tp10 -70.5 -42.23 71.59 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.533 -0.729 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.963 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -74.82 -47.28 31.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.28 -0.887 . . . . 0.0 109.736 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.492 HD11 ' CD1' ' D' ' 344' ' ' LEU . 75.0 mt -54.83 -52.21 63.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.091 -1.006 . . . . 0.0 108.759 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.05 -26.32 68.19 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.129 -0.982 . . . . 0.0 108.538 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.038 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.81 -28.05 63.34 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 120.918 -1.114 . . . . 0.0 108.144 179.443 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.735 ' HG3' HD22 ' D' ' 350' ' ' LEU . 6.8 tttt -62.91 -43.61 98.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.47 -34.86 77.67 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.345 -0.847 . . . . 0.0 109.577 179.601 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.326 0.584 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.493 ' CZ ' ' HG2' ' A' ' 333' ' ' ARG . 6.2 m-85 -103.11 106.86 17.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.532 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 55.5 m-85 -97.42 166.36 11.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.0 109.17 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.099 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -133.19 137.46 46.18 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.328 -0.858 . . . . 0.0 109.94 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.883 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -117.86 88.61 2.95 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.518 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 3.2 mt-30 -77.95 112.93 15.36 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.185 -0.947 . . . . 0.0 109.858 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.86 114.02 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.347 -0.846 . . . . 0.0 109.289 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 38.0 mtm180 -77.49 97.93 5.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.0 109.171 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 171.02 -119.14 0.78 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.588 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 5.0 ttm180 174.1 -66.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.323 -1.104 . . . . 0.0 109.219 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.53 -50.85 72.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.137 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' B' ' 340' ' ' MET . 8.7 mtm105 -56.53 -41.55 76.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.006 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.824 ' CE1' HD12 ' A' ' 330' ' ' LEU . 72.1 t80 -56.78 -41.86 78.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.197 -0.94 . . . . 0.0 108.777 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 17.7 mt-10 -60.41 -41.06 93.12 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.496 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 3.5 mtp -53.24 -50.35 64.96 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.597 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.3 m-85 -66.48 -26.11 67.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.45 -0.781 . . . . 0.0 109.001 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -63.59 -37.45 87.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.352 -0.842 . . . . 0.0 108.953 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.468 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 49.0 tp10 -70.31 -49.07 53.31 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.271 -0.893 . . . . 0.0 108.797 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.723 HD12 HD12 ' C' ' 344' ' ' LEU . 1.2 mm? -60.34 -23.03 63.93 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.582 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.0 OUTLIER -86.62 -25.66 24.81 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' B' ' 350' ' ' LEU . 21.2 tp10 -71.88 -40.79 68.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.422 -0.799 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.958 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -75.97 -46.69 28.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.329 -0.857 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' C' ' 344' ' ' LEU . 79.1 mt -55.65 -52.02 65.26 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.127 -0.983 . . . . 0.0 108.961 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.94 -28.54 69.61 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 1.023 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -68.74 -29.66 68.11 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.41 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.724 ' HG3' HD22 ' C' ' 350' ' ' LEU . 6.8 tttt -62.26 -41.8 98.77 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.62 -32.26 73.85 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.446 -0.783 . . . . 0.0 109.16 179.721 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.544 ' CZ ' ' HG2' ' D' ' 333' ' ' ARG . 6.3 m-85 -103.31 106.94 17.57 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.237 -0.914 . . . . 0.0 109.51 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 54.9 m-85 -96.59 169.4 9.91 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.22 -0.925 . . . . 0.0 109.155 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 329' ' ' THR . . . . . 1.08 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -136.55 133.28 36.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.192 -0.942 . . . . 0.0 109.989 -179.573 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.894 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.49 89.36 3.07 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.344 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.2 mt-30 -78.36 113.27 16.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.839 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -111.5 113.54 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 109.398 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.551 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 37.4 mtm180 -76.89 98.3 4.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.417 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 170.53 -118.8 0.77 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 5.1 ttm180 173.78 -66.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.366 -1.079 . . . . 0.0 109.213 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.13 -51.21 70.98 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.201 -0.937 . . . . 0.0 109.07 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' C' ' 340' ' ' MET . 8.6 mtm105 -56.23 -41.24 75.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.255 -0.903 . . . . 0.0 108.916 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.894 ' CE1' HD12 ' D' ' 330' ' ' LEU . 71.8 t80 -57.06 -42.01 79.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.322 -0.861 . . . . 0.0 108.871 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.423 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 17.8 mt-10 -60.22 -40.78 91.37 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 3.5 mtp -53.29 -50.28 65.22 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.599 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.3 m-85 -66.42 -26.08 67.05 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.567 -0.708 . . . . 0.0 109.103 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.423 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -63.55 -37.39 87.15 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.434 -0.791 . . . . 0.0 109.006 179.782 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 49.5 tp10 -70.51 -49.35 49.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 108.747 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.723 HD12 HD12 ' B' ' 344' ' ' LEU . 0.9 OUTLIER -60.01 -22.69 62.92 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.051 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.577 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.0 OUTLIER -87.42 -25.27 23.87 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' C' ' 350' ' ' LEU . 21.5 tp10 -72.19 -40.89 67.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.432 -0.793 . . . . 0.0 109.203 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.912 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -75.88 -45.49 35.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.309 -0.87 . . . . 0.0 109.38 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.54 HD11 ' CD1' ' B' ' 344' ' ' LEU . 80.0 mt -56.95 -51.82 67.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.022 -1.049 . . . . 0.0 108.94 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.79 -28.49 69.49 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 1.023 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -68.76 -29.86 68.34 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.447 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.734 ' HG3' HD22 ' B' ' 350' ' ' LEU . 6.7 tttt -61.9 -41.89 98.44 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.82 -32.21 73.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.412 -0.805 . . . . 0.0 108.909 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.454 -0.779 . . . . 0.0 109.304 179.747 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.551 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 6.3 m-85 -103.07 107.01 17.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.371 -0.831 . . . . 0.0 109.493 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 54.8 m-85 -96.74 169.11 10.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.925 . . . . 0.0 109.07 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 329' ' ' THR . . . . . 1.08 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -136.38 133.06 36.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.114 -0.992 . . . . 0.0 109.97 -179.503 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.894 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.13 89.35 3.07 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.495 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.2 mt-30 -78.43 112.97 16.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.258 -0.901 . . . . 0.0 109.815 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -111.06 113.74 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.326 -0.859 . . . . 0.0 109.399 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.544 ' HG2' ' CZ ' ' C' ' 327' ' ' TYR . 36.6 mtm180 -77.09 98.61 5.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.147 -0.971 . . . . 0.0 109.501 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 170.08 -119.03 0.79 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.588 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 5.1 ttm180 174.21 -66.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -1.098 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.12 -50.95 72.08 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.296 -0.878 . . . . 0.0 109.256 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' D' ' 340' ' ' MET . 8.7 mtm105 -56.44 -41.14 75.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.211 -0.93 . . . . 0.0 108.976 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.894 ' CE1' HD12 ' C' ' 330' ' ' LEU . 72.3 t80 -57.15 -41.95 80.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.3 -0.875 . . . . 0.0 108.817 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' D' ' 342' ' ' ARG . 17.8 mt-10 -60.13 -40.99 91.72 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.496 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.6 mtp -53.14 -50.37 64.67 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.595 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.3 m-85 -66.37 -26.15 67.13 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.549 -0.72 . . . . 0.0 109.072 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -63.47 -37.23 86.49 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.326 -0.859 . . . . 0.0 109.03 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.462 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 49.4 tp10 -70.52 -49.66 45.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.272 -0.892 . . . . 0.0 108.694 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.72 HD12 HD12 ' A' ' 344' ' ' LEU . 0.8 OUTLIER -60.02 -22.67 62.91 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.568 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.0 OUTLIER -87.2 -25.45 24.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' D' ' 350' ' ' LEU . 21.3 tp10 -71.82 -41.11 68.61 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.338 -0.851 . . . . 0.0 109.205 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.974 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -75.37 -47.16 28.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.291 -0.881 . . . . 0.0 109.391 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 344' ' ' LEU . 78.8 mt -55.44 -52.03 64.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.083 -1.01 . . . . 0.0 108.967 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.97 -28.37 69.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.288 -0.883 . . . . 0.0 108.761 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 1.038 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -69.05 -29.46 67.6 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.407 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.725 ' HG3' HD22 ' A' ' 350' ' ' LEU . 6.8 tttt -62.17 -41.8 98.67 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.87 -31.95 73.42 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.425 -0.797 . . . . 0.0 108.853 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.352 -0.842 . . . . 0.0 109.322 179.763 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 5.2 m-85 -115.2 108.61 16.82 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.29 -0.881 . . . . 0.0 109.21 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 44.0 m-85 -97.55 174.43 6.66 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.224 -0.922 . . . . 0.0 108.661 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.129 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -136.9 133.77 36.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.105 -0.997 . . . . 0.0 109.732 -179.539 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.895 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -114.64 97.15 6.11 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.661 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.703 ' HG2' HG23 ' B' ' 329' ' ' THR . 78.3 mt-30 -88.24 112.05 22.35 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.33 -0.856 . . . . 0.0 108.882 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 338' ' ' PHE . 3.2 mt -107.27 113.77 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.433 -0.792 . . . . 0.0 110.008 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.501 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 9.7 ttp180 -77.96 91.31 4.2 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.238 -0.914 . . . . 0.0 108.765 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.67 -130.9 1.74 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -173.1 -48.62 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.35 -1.088 . . . . 0.0 108.865 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.28 -31.93 55.17 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.268 -0.895 . . . . 0.0 108.913 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.702 ' HD3' HD22 ' B' ' 348' ' ' LEU . 8.2 mtm-85 -72.36 -45.88 57.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.221 -0.925 . . . . 0.0 108.6 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.882 ' CE1' HD12 ' B' ' 330' ' ' LEU . 49.9 t80 -62.06 -30.2 70.82 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.218 -0.926 . . . . 0.0 108.603 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.35 -45.33 66.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.23 -0.919 . . . . 0.0 108.9 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.414 ' SD ' ' CD ' ' C' ' 343' ' ' GLU . 6.4 mtp -49.5 -47.49 48.65 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.994 0.902 . . . . 0.0 109.219 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.564 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.2 m-85 -66.72 -39.29 87.95 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.868 0.842 . . . . 0.0 108.963 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 1.8 ttp85 -50.42 -32.46 17.79 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.27 -60.54 2.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.481 -0.762 . . . . 0.0 109.785 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.693 ' CD1' HD11 ' D' ' 348' ' ' LEU . 1.4 mm? -57.17 -63.19 1.3 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.955 -1.09 . . . . 0.0 108.638 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 21.5 t-20 -44.85 -30.88 1.06 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.586 -0.696 . . . . 0.0 109.342 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 8.0 mm-40 -69.34 -49.09 58.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.169 -0.957 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.642 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -60.69 -44.75 96.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.151 -0.968 . . . . 0.0 109.836 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.676 HD11 ' CD1' ' D' ' 344' ' ' LEU . 60.9 mt -55.75 -51.76 66.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.969 . . . . 0.0 108.54 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.96 -25.56 65.3 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.95 ' CD1' HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.58 -31.92 67.49 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.1 -1.0 . . . . 0.0 108.514 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.443 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 23.0 tttm -63.02 -40.1 96.75 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.96 -25.58 61.92 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.18 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.725 0 O-C-N 121.303 -0.873 . . . . 0.0 109.868 -179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.501 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 4.9 m-85 -116.12 104.69 11.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.216 -0.927 . . . . 0.0 109.691 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 46.9 m-85 -95.29 169.09 10.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.064 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.129 HG22 HG22 ' A' ' 329' ' ' THR . 0.3 OUTLIER -131.21 140.34 49.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.263 -0.898 . . . . 0.0 109.691 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.882 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -120.34 90.51 3.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.355 -0.841 . . . . 0.0 108.791 179.437 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.611 ' HG2' HG23 ' A' ' 329' ' ' THR . 74.5 mt-30 -82.09 112.01 18.75 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.86 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' B' ' 338' ' ' PHE . 3.2 mt -106.46 114.99 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.329 -0.857 . . . . 0.0 109.527 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.526 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 9.7 ttp180 -79.37 90.38 5.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 0.0 108.976 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.14 -129.68 1.51 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -173.16 -49.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -1.053 . . . . 0.0 108.923 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.0 -31.54 59.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.331 -0.856 . . . . 0.0 109.004 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.612 ' HD3' HD22 ' A' ' 348' ' ' LEU . 6.8 mtm-85 -72.82 -46.37 53.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.363 -0.836 . . . . 0.0 108.946 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.895 ' CE1' HD12 ' A' ' 330' ' ' LEU . 49.9 t80 -61.76 -29.85 70.4 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.68 -47.01 62.07 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.427 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 7.0 mtp -48.89 -48.05 42.67 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.558 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.3 m-85 -66.05 -37.49 85.97 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 1.9 ttp85 -53.17 -28.79 28.16 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.4 tt0 -76.41 -63.07 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.459 -0.776 . . . . 0.0 109.102 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.684 ' CD1' HD11 ' C' ' 348' ' ' LEU . 1.7 mm? -54.13 -67.64 0.25 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.044 -1.035 . . . . 0.0 108.283 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 345' ' ' ASN . 21.9 t30 -41.56 -28.04 0.12 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.646 -0.659 . . . . 0.0 109.676 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 7.4 mm-40 -73.21 -48.3 36.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.187 -0.946 . . . . 0.0 109.449 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.639 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -60.89 -45.51 94.33 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.199 -0.938 . . . . 0.0 109.472 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.702 HD22 ' HD3' ' A' ' 337' ' ' ARG . 56.8 mt -55.21 -52.14 64.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.138 -0.976 . . . . 0.0 108.768 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.69 -26.36 65.52 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.282 -0.887 . . . . 0.0 108.697 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.945 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -70.26 -34.02 72.31 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 22.6 tttm -61.42 -39.41 90.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.421 -0.799 . . . . 0.0 108.877 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.11 -24.0 60.57 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.415 -0.803 . . . . 0.0 109.189 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.317 -0.864 . . . . 0.0 109.417 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' D' ' 333' ' ' ARG . 4.8 m-85 -116.57 104.42 11.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.156 -0.965 . . . . 0.0 109.572 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 47.2 m-85 -94.07 171.9 8.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.27 -0.894 . . . . 0.0 109.177 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -134.62 135.84 42.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.115 -0.991 . . . . 0.0 109.81 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.955 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -117.02 91.55 3.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.27 -0.894 . . . . 0.0 109.082 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.657 ' HG2' HG23 ' D' ' 329' ' ' THR . 74.6 mt-30 -82.83 112.37 19.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.375 -0.828 . . . . 0.0 109.61 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' C' ' 338' ' ' PHE . 3.2 mt -107.0 114.71 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.383 -0.823 . . . . 0.0 109.633 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' D' ' 327' ' ' TYR . 10.2 ttp180 -78.51 90.5 4.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.255 -0.903 . . . . 0.0 109.262 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.2 -130.71 1.73 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -171.54 -49.08 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.333 -1.098 . . . . 0.0 109.034 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.14 -31.82 58.79 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.349 -0.845 . . . . 0.0 109.023 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.601 ' HD3' HD22 ' D' ' 348' ' ' LEU . 6.8 mtm-85 -72.69 -46.05 55.69 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.287 -0.883 . . . . 0.0 108.739 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.937 ' CE1' HD12 ' D' ' 330' ' ' LEU . 49.5 t80 -61.99 -30.35 70.88 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.22 -46.87 63.61 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.3 mtp -48.71 -48.18 40.6 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.555 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.3 m-85 -65.99 -37.61 86.39 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 ttp85 -53.0 -27.92 21.49 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.3 tt0 -77.53 -62.8 1.54 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.638 ' CD1' HD11 ' B' ' 348' ' ' LEU . 1.5 mm? -54.03 -68.09 0.21 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.064 -1.022 . . . . 0.0 108.308 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' C' ' 345' ' ' ASN . 22.0 t30 -41.14 -29.44 0.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.652 -0.655 . . . . 0.0 109.927 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 7.7 mm-40 -72.15 -48.32 44.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.151 -0.968 . . . . 0.0 109.775 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.636 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -61.44 -42.43 98.75 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.297 -0.877 . . . . 0.0 109.362 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' B' ' 344' ' ' LEU . 60.4 mt -58.14 -51.89 67.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.039 -1.038 . . . . 0.0 108.682 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.5 -26.2 65.09 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.305 -0.872 . . . . 0.0 108.787 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.945 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -70.48 -33.2 70.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.514 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 23.0 tttm -62.12 -38.97 90.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.475 -0.766 . . . . 0.0 108.986 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.3 -23.99 60.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.324 -0.86 . . . . 0.0 109.054 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 0.0 109.472 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' C' ' 333' ' ' ARG . 4.8 m-85 -116.36 104.88 11.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.139 -0.975 . . . . 0.0 109.657 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 47.8 m-85 -94.55 171.6 8.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -0.924 . . . . 0.0 109.105 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -134.34 136.22 43.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.221 -0.924 . . . . 0.0 109.834 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.937 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -117.3 91.7 3.65 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.382 -0.824 . . . . 0.0 109.064 179.552 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.664 ' HG2' HG23 ' C' ' 329' ' ' THR . 74.4 mt-30 -82.85 112.61 19.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.249 -0.907 . . . . 0.0 109.629 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' D' ' 338' ' ' PHE . 3.2 mt -107.1 114.59 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.285 -0.885 . . . . 0.0 109.614 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.559 ' HB2' ' CE1' ' C' ' 327' ' ' TYR . 10.0 ttp180 -78.43 90.86 4.45 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.249 -0.907 . . . . 0.0 109.356 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.89 -130.38 1.69 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -171.87 -48.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -1.119 . . . . 0.0 109.08 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.24 -31.63 58.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.419 -0.8 . . . . 0.0 109.075 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.607 ' HD3' HD22 ' C' ' 348' ' ' LEU . 6.9 mtm-85 -72.77 -46.05 55.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.295 -0.878 . . . . 0.0 108.762 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.955 ' CE1' HD12 ' C' ' 330' ' ' LEU . 50.5 t80 -62.03 -30.16 70.77 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.267 -0.896 . . . . 0.0 108.714 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.35 -46.78 63.46 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.245 -0.909 . . . . 0.0 108.689 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.416 ' HE1' ' HG2' ' B' ' 343' ' ' GLU . 7.2 mtp -48.93 -48.44 42.79 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.554 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.3 m-85 -65.6 -37.06 85.55 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 ttp85 -53.72 -28.02 31.63 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.3 tt0 -77.08 -63.05 1.45 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.477 -0.764 . . . . 0.0 109.099 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.676 ' CD1' HD11 ' A' ' 348' ' ' LEU . 1.5 mm? -54.25 -67.45 0.26 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.095 -1.003 . . . . 0.0 108.412 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.46 ' O ' ' OD1' ' D' ' 345' ' ' ASN . 22.9 t30 -41.48 -29.17 0.15 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.585 -0.697 . . . . 0.0 109.738 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 7.6 mm-40 -71.96 -48.54 44.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 109.595 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.645 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -60.77 -45.19 95.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.271 -0.893 . . . . 0.0 109.385 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.693 HD11 ' CD1' ' A' ' 344' ' ' LEU . 61.2 mt -55.6 -52.22 64.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.183 -0.948 . . . . 0.0 108.789 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.6 -26.63 65.61 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.95 HD11 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -69.86 -33.8 72.74 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 23.0 tttm -62.04 -38.68 89.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.477 -0.764 . . . . 0.0 108.956 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.84 -23.97 59.7 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.31 -0.868 . . . . 0.0 109.03 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.332 -0.855 . . . . 0.0 109.491 179.858 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.272 0.558 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' B' ' 333' ' ' ARG . 20.2 m-30 -114.37 126.3 54.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.265 -0.897 . . . . 0.0 109.546 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.614 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 74.3 m-85 -122.36 138.59 54.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.349 -0.844 . . . . 0.0 108.99 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.021 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -102.81 131.97 49.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.938 -1.101 . . . . 0.0 109.695 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.422 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.7 OUTLIER -114.54 96.32 5.69 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 54.5 tt0 -89.25 109.97 20.79 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.269 -0.895 . . . . 0.0 109.264 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 6.1 mt -110.01 127.87 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.395 -0.816 . . . . 0.0 109.755 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.544 ' HG2' ' CD1' ' B' ' 327' ' ' TYR . 23.4 mtm105 -89.98 107.02 18.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.315 -0.866 . . . . 0.0 109.008 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 171.98 -114.2 0.52 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 7.2 ttt180 164.08 -39.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.552 -0.969 . . . . 0.0 108.928 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -84.77 -47.21 10.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.993 ' CD ' HD13 ' B' ' 348' ' ' LEU . 2.2 mtm180 -61.51 -38.01 85.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.303 -0.873 . . . . 0.0 109.06 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.618 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 58.3 t80 -62.38 -30.89 71.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 108.93 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.24 -44.71 64.8 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.292 -0.88 . . . . 0.0 109.325 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.7 mtm -54.93 -46.03 74.9 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.485 -0.759 . . . . 0.0 109.655 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.58 ' HE1' HD11 ' C' ' 344' ' ' LEU . 5.1 m-30 -66.94 -38.87 86.94 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.723 0.773 . . . . 0.0 109.899 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 1.8 mtp180 -51.68 -38.66 55.96 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -73.83 -53.21 10.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.421 -0.799 . . . . 0.0 110.002 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.714 HD12 HD12 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -47.14 -60.6 2.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.193 -0.942 . . . . 0.0 109.661 -179.422 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.582 ' HA ' HD12 ' A' ' 348' ' ' LEU . 4.8 p30 -63.71 -22.74 67.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.13 -0.981 . . . . 0.0 109.862 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 343' ' ' GLU . 11.5 tt0 -61.67 -46.28 90.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.941 -1.1 . . . . 0.0 109.67 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.626 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -71.74 -46.59 58.07 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.209 -0.932 . . . . 0.0 109.969 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.958 HD13 ' CD ' ' B' ' 337' ' ' ARG . 50.8 mt -48.64 -50.92 30.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.137 -0.977 . . . . 0.0 108.788 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -35.03 74.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.117 -0.989 . . . . 0.0 108.551 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.035 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -61.59 -30.2 70.52 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.518 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 17.8 tttt -63.43 -45.16 92.23 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -15.19 62.41 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.491 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.729 0 O-C-N 121.236 -0.915 . . . . 0.0 110.043 -179.769 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.274 0.559 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 333' ' ' ARG . 20.6 m-30 -113.59 126.56 55.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.618 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 74.1 m-85 -122.86 138.18 54.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.322 -0.861 . . . . 0.0 109.197 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.021 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -101.31 138.1 38.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.973 -1.079 . . . . 0.0 109.37 179.766 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.419 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -120.63 88.44 2.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 109.091 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 52.4 tt0 -81.39 110.87 17.22 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.242 -0.911 . . . . 0.0 110.084 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -110.89 127.99 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.315 -0.866 . . . . 0.0 109.082 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.585 ' HG2' ' CD1' ' A' ' 327' ' ' TYR . 24.2 mtm105 -90.7 105.79 18.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.335 -0.853 . . . . 0.0 109.212 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' B' ' 335' ' ' ARG . . . 172.88 -112.58 0.44 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' B' ' 334' ' ' GLY . 7.7 ttt180 162.95 -39.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.541 -0.976 . . . . 0.0 108.925 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -84.26 -46.61 11.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 0.0 109.323 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.958 ' CD ' HD13 ' A' ' 348' ' ' LEU . 2.6 mtm180 -61.92 -39.46 92.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.154 -0.966 . . . . 0.0 109.225 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.614 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 58.3 t80 -61.41 -29.76 70.14 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.28 -0.888 . . . . 0.0 109.093 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.59 -45.97 56.54 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.368 -0.832 . . . . 0.0 108.977 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 mtm -54.52 -47.61 72.93 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.266 -0.896 . . . . 0.0 108.965 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.571 ' HE1' HD11 ' D' ' 344' ' ' LEU . 5.2 m-30 -65.15 -38.69 91.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.732 . . . . 0.0 109.44 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 1.5 mtp180 -52.44 -36.63 55.05 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.327 -0.858 . . . . 0.0 109.317 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' B' ' 346' ' ' GLU . 0.4 OUTLIER -75.85 -52.27 10.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.504 -0.747 . . . . 0.0 109.873 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.729 HD12 HD12 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -47.66 -60.64 2.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.118 -0.989 . . . . 0.0 109.512 -179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.573 ' HA ' HD12 ' B' ' 348' ' ' LEU . 4.1 p30 -63.19 -22.34 66.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.21 -0.931 . . . . 0.0 109.8 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.468 ' HB3' ' O ' ' B' ' 343' ' ' GLU . 11.4 tt0 -62.4 -47.18 85.24 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.093 -1.005 . . . . 0.0 109.639 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.628 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -70.52 -48.19 56.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.164 -0.96 . . . . 0.0 109.644 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.993 HD13 ' CD ' ' A' ' 337' ' ' ARG . 57.2 mt -46.83 -51.94 15.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 109.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -36.39 76.96 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.304 -0.873 . . . . 0.0 108.658 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 1.051 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -59.22 -31.85 69.42 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.35 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.52 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 17.8 tttt -62.15 -44.52 96.43 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.39 -13.97 61.59 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.449 -0.782 . . . . 0.0 109.443 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.221 -0.925 . . . . 0.0 109.775 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.234 0.54 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' D' ' 333' ' ' ARG . 20.4 m-30 -114.1 126.53 55.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.395 -0.815 . . . . 0.0 109.518 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.604 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 75.5 m-85 -122.49 138.32 54.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.36 -0.837 . . . . 0.0 109.146 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.957 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -102.24 133.91 46.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.051 -1.031 . . . . 0.0 109.686 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.443 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.7 OUTLIER -116.96 90.51 3.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.359 -0.838 . . . . 0.0 109.188 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 53.1 tt0 -83.17 111.3 18.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.282 -0.887 . . . . 0.0 109.851 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.33 127.77 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.301 -0.875 . . . . 0.0 109.273 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.57 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 24.8 mtm105 -90.25 106.5 18.53 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.471 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 171.93 -113.04 0.47 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 7.1 ttt180 163.83 -39.9 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.436 -1.037 . . . . 0.0 108.937 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -83.8 -47.25 11.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.365 -0.834 . . . . 0.0 109.336 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.938 ' CD ' HD13 ' D' ' 348' ' ' LEU . 2.5 mtm180 -61.48 -38.98 89.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.314 -0.866 . . . . 0.0 109.262 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.618 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 59.0 t80 -61.67 -30.39 70.7 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.149 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -71.8 -45.41 61.63 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 109.093 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 mtm -55.1 -45.64 75.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.331 -0.855 . . . . 0.0 109.006 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.568 ' HE1' HD11 ' A' ' 344' ' ' LEU . 5.2 m-30 -66.77 -38.64 86.99 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.406 -0.809 . . . . 0.0 109.482 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 mtp180 -52.27 -36.02 51.61 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.315 -0.866 . . . . 0.0 109.375 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -76.59 -52.66 9.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.308 -0.87 . . . . 0.0 109.698 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.729 HD12 HD12 ' B' ' 344' ' ' LEU . 0.5 OUTLIER -47.2 -61.45 1.89 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.315 -0.865 . . . . 0.0 109.424 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.583 ' HA ' HD12 ' C' ' 348' ' ' LEU . 5.0 p30 -63.08 -22.46 66.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.06 -1.025 . . . . 0.0 110.045 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.468 ' HB3' ' O ' ' C' ' 343' ' ' GLU . 11.8 tt0 -62.26 -46.85 86.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.98 -1.075 . . . . 0.0 109.586 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.697 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -70.47 -47.46 60.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.614 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.958 HD13 ' CD ' ' D' ' 337' ' ' ARG . 56.5 mt -47.91 -52.1 20.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.023 -1.048 . . . . 0.0 109.118 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -36.34 76.21 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 1.051 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -59.61 -31.17 69.24 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.49 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.51 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 18.0 tttt -62.67 -44.27 96.69 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -13.81 61.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.411 -0.806 . . . . 0.0 109.402 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 109.741 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.277 0.56 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' C' ' 333' ' ' ARG . 20.4 m-30 -114.28 126.6 55.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.618 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 76.5 m-85 -122.58 138.43 54.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.279 -0.888 . . . . 0.0 109.118 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.957 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -102.13 134.61 45.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.081 -1.012 . . . . 0.0 109.597 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.431 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.7 OUTLIER -117.66 90.44 3.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.886 . . . . 0.0 109.122 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 53.2 tt0 -82.9 111.13 18.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.327 -0.858 . . . . 0.0 109.86 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.12 127.82 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 0.0 109.349 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.579 ' HG2' ' CD1' ' C' ' 327' ' ' TYR . 24.6 mtm105 -90.28 106.63 18.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 0.0 109.406 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 171.74 -112.87 0.46 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 7.2 ttt180 163.67 -40.11 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.47 -1.018 . . . . 0.0 108.916 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -83.75 -47.16 11.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.241 -0.912 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.958 ' CD ' HD13 ' C' ' 348' ' ' LEU . 2.5 mtm180 -61.53 -38.91 89.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.213 -0.929 . . . . 0.0 109.216 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.604 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 58.6 t80 -61.75 -30.48 70.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.287 -0.883 . . . . 0.0 109.039 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -71.69 -45.54 61.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.37 -0.831 . . . . 0.0 109.07 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.8 mtm -55.05 -45.49 75.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.331 -0.855 . . . . 0.0 109.139 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.571 ' HE1' HD11 ' B' ' 344' ' ' LEU . 5.2 m-30 -66.86 -38.79 87.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.816 . . . . 0.0 109.32 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 mtp180 -52.18 -35.91 50.27 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.385 -0.822 . . . . 0.0 109.453 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -76.73 -52.1 10.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.303 -0.873 . . . . 0.0 109.632 -179.83 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -47.82 -61.37 1.98 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.91 . . . . 0.0 109.549 -179.646 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.582 ' HA ' HD12 ' D' ' 348' ' ' LEU . 4.9 p30 -63.11 -22.06 66.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.163 -0.96 . . . . 0.0 110.009 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 11.6 tt0 -62.46 -47.04 85.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.084 -1.01 . . . . 0.0 109.468 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.722 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -70.4 -47.74 59.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 109.643 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.938 HD13 ' CD ' ' C' ' 337' ' ' ARG . 57.4 mt -47.48 -51.93 18.83 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.146 -0.971 . . . . 0.0 109.104 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -36.54 77.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 0.0 108.722 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 1.035 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -59.29 -31.42 69.11 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.385 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.511 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 18.4 tttt -62.59 -44.47 96.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.436 -0.79 . . . . 0.0 108.952 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.31 -14.08 61.65 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.452 -0.78 . . . . 0.0 109.283 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 0.0 109.786 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.584 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -99.55 111.5 23.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.171 -0.956 . . . . 0.0 109.593 -179.738 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' B' ' 335' ' ' ARG . 52.3 m-85 -104.29 161.86 13.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -0.915 . . . . 0.0 109.495 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.126 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -120.52 132.64 55.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.211 -0.931 . . . . 0.0 109.873 -179.659 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.504 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -113.26 94.76 5.03 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 178.001 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.682 ' HG2' HG23 ' B' ' 329' ' ' THR . 27.3 mt-30 -86.93 119.55 27.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 109.034 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.487 HG12 ' OD1' ' B' ' 345' ' ' ASN . 4.8 mt -126.4 126.4 69.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.423 -0.798 . . . . 0.0 109.626 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.586 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 2.8 mtm105 -79.94 138.5 37.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.256 -0.903 . . . . 0.0 109.064 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 132.91 -131.92 6.35 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.572 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER 178.35 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.439 -1.036 . . . . 0.0 108.902 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -41.45 81.31 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.295 -0.878 . . . . 0.0 108.917 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.412 ' HD3' HD22 ' B' ' 348' ' ' LEU . 30.0 mtm180 -67.31 -39.58 85.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.329 -0.857 . . . . 0.0 108.791 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.503 ' CZ ' ' HG ' ' B' ' 330' ' ' LEU . 53.5 t80 -61.21 -30.79 70.64 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -72.61 -39.11 67.53 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.38 -0.825 . . . . 0.0 109.218 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.466 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 10.1 mtp -57.78 -54.34 48.01 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.93 0.871 . . . . 0.0 109.49 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CE1' HD11 ' C' ' 344' ' ' LEU . 9.5 m-85 -63.14 -36.38 83.44 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.598 0.713 . . . . 0.0 109.465 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -40.02 67.97 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.94 -43.89 82.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.399 -0.813 . . . . 0.0 109.018 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.872 HD12 HD12 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -61.7 -26.97 68.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.169 -0.957 . . . . 0.0 109.118 179.704 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.458 ' OD1' HG12 ' B' ' 332' ' ' ILE . 1.1 m-80 -84.86 -19.49 32.31 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.184 -0.948 . . . . 0.0 108.935 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -71.83 -45.31 61.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.518 -0.739 . . . . 0.0 109.051 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.691 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -74.11 -48.79 27.22 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.324 -0.86 . . . . 0.0 109.269 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.799 HD23 ' HB2' ' D' ' 347' ' ' ALA . 66.2 mt -52.26 -51.92 55.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 108.804 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -60.15 -31.55 70.2 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.293 -0.879 . . . . 0.0 108.649 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.005 ' CD1' HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -65.38 -31.18 72.15 Favored 'General case' 0 C--N 1.311 -1.095 0 O-C-N 120.959 -1.088 . . . . 0.0 108.397 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.439 ' CA ' HD21 ' D' ' 350' ' ' LEU . 7.1 ttpp -66.06 -40.13 90.66 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.96 -38.08 69.89 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.414 -0.804 . . . . 0.0 109.31 179.272 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.28 0.562 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -99.06 112.2 24.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 109.554 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 52.1 m-85 -105.55 160.65 15.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.199 -0.938 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.126 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.85 141.68 48.15 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 0.0 109.225 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.503 ' HG ' ' CZ ' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -122.37 81.37 1.83 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.538 ' HG2' HG23 ' A' ' 329' ' ' THR . 32.1 mt-30 -74.21 122.34 22.65 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.354 -0.841 . . . . 0.0 110.104 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.458 HG12 ' OD1' ' A' ' 345' ' ' ASN . 4.5 mt -129.14 126.91 65.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.419 -0.801 . . . . 0.0 108.853 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 2.7 mtm105 -81.36 138.07 35.67 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.23 -0.919 . . . . 0.0 109.251 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 132.65 -131.32 6.14 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER 178.48 -50.12 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -1.065 . . . . 0.0 108.907 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -41.31 82.53 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.337 -0.852 . . . . 0.0 109.059 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -67.33 -41.22 85.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.313 -0.867 . . . . 0.0 108.923 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.504 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 52.8 t80 -59.59 -31.0 69.06 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.09 -39.74 65.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.364 -0.835 . . . . 0.0 108.751 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.447 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 10.6 mtp -57.61 -55.33 36.27 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.337 -0.852 . . . . 0.0 108.901 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 344' ' ' LEU . 12.8 m-85 -62.59 -34.71 77.55 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.465 -0.772 . . . . 0.0 109.233 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -41.32 72.92 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.275 -0.891 . . . . 0.0 108.819 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.3 -43.19 91.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.41 -0.806 . . . . 0.0 109.184 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.865 HD12 HD12 ' C' ' 344' ' ' LEU . 0.8 OUTLIER -62.91 -25.32 68.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.283 -0.886 . . . . 0.0 108.877 179.751 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.487 ' OD1' HG12 ' A' ' 332' ' ' ILE . 1.1 m-80 -86.72 -17.96 32.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 108.83 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -73.12 -45.6 55.98 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.721 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -73.41 -49.52 26.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.331 -0.856 . . . . 0.0 109.164 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.778 HD23 ' HB2' ' C' ' 347' ' ' ALA . 58.5 mt -52.05 -51.33 58.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.065 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -60.74 -33.32 72.75 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.279 -0.888 . . . . 0.0 108.776 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 1.002 ' CD1' HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -63.21 -32.43 73.82 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.449 ' CA ' HD21 ' C' ' 350' ' ' LEU . 7.1 ttpp -65.63 -40.18 92.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.423 -0.798 . . . . 0.0 108.873 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.03 -35.16 66.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.385 -0.822 . . . . 0.0 108.926 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.445 -0.784 . . . . 0.0 109.251 179.819 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.277 0.56 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 0.2 OUTLIER -99.47 111.33 23.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.195 -0.941 . . . . 0.0 109.53 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CZ ' ' HD2' ' D' ' 335' ' ' ARG . 51.8 m-85 -104.05 161.93 13.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.246 -0.909 . . . . 0.0 109.575 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 329' ' ' THR . . . . . 1.032 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -120.17 135.67 54.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.209 -0.932 . . . . 0.0 109.773 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.491 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -116.77 84.42 2.14 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.388 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.611 ' HG2' HG23 ' D' ' 329' ' ' THR . 30.6 mt-30 -76.73 122.11 24.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.308 -0.87 . . . . 0.0 109.911 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.46 HG12 ' OD1' ' D' ' 345' ' ' ASN . 4.5 mt -129.22 125.95 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.395 -0.816 . . . . 0.0 109.162 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.565 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 2.7 mtm105 -80.05 137.8 36.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.178 -0.952 . . . . 0.0 109.588 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 132.59 -131.37 6.17 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.498 ' HD2' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER 179.0 -50.82 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.354 -1.086 . . . . 0.0 109.094 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -41.64 84.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 0.0 108.989 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.405 ' HD3' HD22 ' D' ' 348' ' ' LEU . 27.8 mtm180 -67.2 -40.82 86.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.253 -0.904 . . . . 0.0 109.0 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.49 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 53.2 t80 -59.92 -31.43 69.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.232 -0.918 . . . . 0.0 108.695 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.3 -39.82 67.99 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.466 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 11.0 mtp -57.58 -55.08 39.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.455 -0.778 . . . . 0.0 109.021 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' D' ' 344' ' ' LEU . 12.8 m-85 -62.56 -34.62 77.32 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.397 -0.814 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -40.92 72.51 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.249 -0.907 . . . . 0.0 108.898 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.55 -43.19 90.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.284 -0.885 . . . . 0.0 109.05 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.865 HD12 HD12 ' B' ' 344' ' ' LEU . 0.5 OUTLIER -63.21 -25.23 68.24 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.369 -0.832 . . . . 0.0 108.998 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.482 ' OD1' HG12 ' D' ' 332' ' ' ILE . 1.1 m-80 -86.86 -18.46 30.86 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -73.11 -45.7 55.49 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.405 -0.81 . . . . 0.0 108.993 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.778 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -73.16 -48.07 38.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.355 -0.841 . . . . 0.0 109.106 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.721 HD23 ' HB2' ' B' ' 347' ' ' ALA . 59.8 mt -53.71 -51.81 62.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.182 -0.949 . . . . 0.0 108.961 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -60.14 -33.05 71.63 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.237 -0.914 . . . . 0.0 108.677 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 1.002 HD11 ' CD1' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -63.44 -32.67 74.18 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.525 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.457 ' CA ' HD21 ' B' ' 350' ' ' LEU . 7.2 ttpp -65.36 -40.02 93.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.413 -0.805 . . . . 0.0 108.889 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.14 -35.09 66.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.386 -0.822 . . . . 0.0 108.959 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.47 0 O-C-N 121.372 -0.83 . . . . 0.0 109.27 179.834 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.565 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 0.2 OUTLIER -99.4 111.67 23.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.911 . . . . 0.0 109.519 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.498 ' CZ ' ' HD2' ' C' ' 335' ' ' ARG . 51.5 m-85 -104.51 162.37 13.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.307 -0.871 . . . . 0.0 109.381 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 329' ' ' THR . . . . . 1.032 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -120.71 135.77 55.04 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.28 -0.887 . . . . 0.0 109.668 -179.816 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.49 ' HG ' ' CZ ' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -116.81 84.42 2.14 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 108.675 179.451 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.599 ' HG2' HG23 ' C' ' 329' ' ' THR . 30.5 mt-30 -76.54 122.06 24.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.306 -0.871 . . . . 0.0 109.883 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.482 HG12 ' OD1' ' C' ' 345' ' ' ASN . 4.5 mt -129.29 125.79 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.084 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.55 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 2.7 mtm105 -79.91 137.93 37.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.185 -0.947 . . . . 0.0 109.748 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 132.39 -131.45 6.24 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.512 ' HD2' ' CZ ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER 179.27 -50.77 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.367 -1.078 . . . . 0.0 109.123 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -41.98 84.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.374 -0.829 . . . . 0.0 109.04 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.432 ' HD3' HD22 ' C' ' 348' ' ' LEU . 27.4 mtm180 -66.78 -40.75 88.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.292 -0.88 . . . . 0.0 109.061 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.491 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 53.0 t80 -60.34 -30.93 69.84 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.243 -0.911 . . . . 0.0 108.636 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.68 -39.3 67.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.383 -0.823 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.447 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 10.5 mtp -58.21 -55.1 39.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.359 -0.838 . . . . 0.0 108.949 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' C' ' 344' ' ' LEU . 12.6 m-85 -62.5 -34.4 76.8 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.522 -0.736 . . . . 0.0 109.227 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -40.56 73.15 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.259 -0.901 . . . . 0.0 108.944 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.29 -42.12 88.83 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.425 -0.797 . . . . 0.0 109.192 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.872 HD12 HD12 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -64.07 -25.21 68.0 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 108.931 179.671 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.46 ' OD1' HG12 ' C' ' 332' ' ' ILE . 1.1 m-80 -86.68 -18.08 32.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.244 -0.91 . . . . 0.0 108.819 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.22 -45.73 54.39 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.799 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -72.83 -49.68 28.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.343 -0.848 . . . . 0.0 109.033 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.691 HD23 ' HB2' ' A' ' 347' ' ' ALA . 60.1 mt -51.97 -51.65 55.72 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.261 -0.899 . . . . 0.0 109.071 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -60.61 -33.14 72.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.275 -0.891 . . . . 0.0 108.809 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 1.005 HD11 ' CD1' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -63.45 -32.2 73.57 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.445 ' CA ' HD21 ' A' ' 350' ' ' LEU . 7.3 ttpp -65.83 -39.84 91.21 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.383 -0.823 . . . . 0.0 108.945 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.4 -34.85 67.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.344 -0.848 . . . . 0.0 108.903 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.37 -0.831 . . . . 0.0 109.333 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -102.56 120.42 40.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 109.567 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.507 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 47.1 m-85 -108.26 140.51 41.4 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.22 -0.925 . . . . 0.0 109.27 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.85 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -99.47 130.22 45.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.88 . . . . 0.0 109.733 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.734 HD21 ' ND2' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -114.4 94.75 4.93 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.483 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 10.8 tt0 -89.18 109.38 20.25 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.253 -0.905 . . . . 0.0 108.912 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.06 134.17 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.768 . . . . 0.0 109.623 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -84.18 129.21 34.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 109.224 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 137.4 -126.55 3.67 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 3.8 ttt180 176.42 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.412 -1.052 . . . . 0.0 109.07 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.79 -36.81 50.01 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.328 -0.857 . . . . 0.0 109.127 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.69 ' HD2' HD13 ' B' ' 348' ' ' LEU . 24.4 mtm-85 -70.3 -32.41 70.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.253 -0.904 . . . . 0.0 108.805 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 81.1 t80 -67.15 -32.26 73.24 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.19 -0.944 . . . . 0.0 108.527 179.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 18.6 mt-10 -75.11 -36.42 61.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 0.0 108.737 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.509 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 4.4 mtp -55.07 -51.96 64.7 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 122.054 0.93 . . . . 0.0 109.179 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.735 ' HE1' HD11 ' C' ' 344' ' ' LEU . 10.5 m-30 -65.83 -44.29 86.0 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.481 -0.762 . . . . 0.0 109.269 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.484 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 0.4 OUTLIER -44.22 -33.85 1.69 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.521 ' HG2' ' HE1' ' C' ' 340' ' ' MET . 4.0 tt0 -75.55 -44.13 44.98 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.664 -0.814 . . . . 0.0 108.808 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' D' ' 344' ' ' LEU . 1.1 mm? -57.64 -61.77 2.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.25 -0.906 . . . . 0.0 109.273 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.654 ' ND2' HD21 ' B' ' 330' ' ' LEU . 24.4 p-10 -60.08 -19.15 51.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -0.957 . . . . 0.0 109.22 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 0.2 OUTLIER -64.06 -47.59 79.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.052 -1.03 . . . . 0.0 109.548 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.871 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -71.37 -46.11 61.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.269 -0.895 . . . . 0.0 110.003 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 1.01 HD23 ' HB2' ' D' ' 347' ' ' ALA . 58.6 mt -52.59 -47.73 66.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.972 -1.08 . . . . 0.0 108.674 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.39 -32.25 72.18 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.107 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.03 -28.71 69.67 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.426 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 23.1 ttpt -65.44 -40.66 93.55 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.75 -38.46 85.23 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.093 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.181 -0.949 . . . . 0.0 109.522 179.757 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -103.02 120.65 41.03 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.155 -0.966 . . . . 0.0 109.483 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 46.2 m-85 -108.88 138.98 44.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.331 -0.856 . . . . 0.0 109.533 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.85 HG22 HG22 ' A' ' 329' ' ' THR . 0.1 OUTLIER -96.34 137.88 34.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.0 109.278 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.654 HD21 ' ND2' ' A' ' 345' ' ' ASN . 0.3 OUTLIER -122.04 83.96 2.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.356 -0.84 . . . . 0.0 108.877 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 12.9 tt0 -79.4 109.4 13.72 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.292 -0.88 . . . . 0.0 110.022 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.36 133.82 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.308 -0.87 . . . . 0.0 109.262 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -84.24 129.08 34.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 137.19 -126.43 3.67 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 3.7 ttt180 176.72 -42.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -1.126 . . . . 0.0 109.131 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -77.35 -35.99 54.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.351 -0.843 . . . . 0.0 109.261 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.6 ' HD2' HD13 ' A' ' 348' ' ' LEU . 26.4 mtm-85 -70.92 -34.1 71.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.12 -0.987 . . . . 0.0 109.045 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.496 ' CD1' HD12 ' A' ' 330' ' ' LEU . 81.8 t80 -66.05 -30.88 71.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.921 . . . . 0.0 108.528 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 17.6 mt-10 -76.73 -37.4 56.09 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.528 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 4.1 mtp -54.85 -52.78 61.72 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.692 ' HE1' HD11 ' D' ' 344' ' ' LEU . 11.2 m-30 -65.63 -43.68 88.76 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.415 -0.803 . . . . 0.0 108.863 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.464 ' O ' ' OD1' ' B' ' 345' ' ' ASN . 0.6 OUTLIER -44.51 -31.87 1.24 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.4 -0.812 . . . . 0.0 108.941 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.505 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 4.2 tt0 -77.34 -43.51 32.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.422 -0.799 . . . . 0.0 108.849 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' C' ' 344' ' ' LEU . 1.5 mm? -57.63 -64.18 0.99 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 108.703 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.734 ' ND2' HD21 ' A' ' 330' ' ' LEU . 27.6 p-10 -58.07 -16.63 13.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.447 -0.783 . . . . 0.0 109.45 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 0.2 OUTLIER -67.87 -46.63 71.16 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.219 -0.926 . . . . 0.0 109.338 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.968 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -71.55 -46.92 58.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.992 HD23 ' HB2' ' C' ' 347' ' ' ALA . 62.5 mt -51.79 -48.45 63.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.187 -0.946 . . . . 0.0 109.039 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.97 -34.07 74.19 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.28 -0.887 . . . . 0.0 108.649 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 1.054 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -62.15 -30.77 71.27 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.459 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 23.0 ttpt -63.4 -40.57 97.58 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.23 -37.48 83.19 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.411 -0.806 . . . . 0.0 109.153 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.235 -0.915 . . . . 0.0 109.206 179.711 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.319 0.581 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -102.9 120.64 40.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.212 -0.93 . . . . 0.0 109.445 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 46.1 m-85 -108.56 139.43 43.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.217 -0.927 . . . . 0.0 109.52 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.79 HG22 HG22 ' D' ' 329' ' ' THR . 0.1 OUTLIER -97.47 133.23 42.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.651 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.716 HD21 ' ND2' ' D' ' 345' ' ' ASN . 0.3 OUTLIER -117.84 86.9 2.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.388 -0.82 . . . . 0.0 109.031 179.581 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.7 tt0 -82.01 109.52 16.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.302 -0.874 . . . . 0.0 109.693 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -107.39 134.57 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.884 . . . . 0.0 109.188 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -84.43 128.93 34.86 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.231 -0.918 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 137.13 -126.24 3.62 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 3.4 ttt180 176.91 -42.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.404 -1.057 . . . . 0.0 109.116 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.99 -36.77 56.17 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.29 -0.881 . . . . 0.0 109.234 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.558 ' HD2' HD13 ' D' ' 348' ' ' LEU . 26.1 mtm-85 -70.35 -33.6 71.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.277 -0.889 . . . . 0.0 108.934 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.446 ' CD1' HD12 ' D' ' 330' ' ' LEU . 80.8 t80 -66.23 -31.58 72.48 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 17.9 mt-10 -76.01 -37.22 58.68 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.521 ' HE1' ' HG2' ' A' ' 343' ' ' GLU . 4.0 mtp -54.75 -52.25 63.11 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.717 ' HE1' HD11 ' A' ' 344' ' ' LEU . 11.1 m-30 -66.0 -43.95 86.22 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.381 -0.825 . . . . 0.0 109.04 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -43.69 -32.3 0.96 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.326 -0.858 . . . . 0.0 108.817 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.477 ' HG2' ' HE1' ' A' ' 340' ' ' MET . 3.9 tt0 -77.04 -43.7 33.57 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' B' ' 344' ' ' LEU . 1.2 mm? -57.49 -64.15 0.99 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.267 -0.896 . . . . 0.0 108.77 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.733 ' ND2' HD21 ' D' ' 330' ' ' LEU . 26.3 p-10 -58.5 -16.46 15.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 109.571 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 0.2 OUTLIER -67.92 -46.64 70.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.165 -0.959 . . . . 0.0 109.252 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.992 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -71.55 -45.34 62.58 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.386 -0.821 . . . . 0.0 109.564 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.968 HD23 ' HB2' ' B' ' 347' ' ' ALA . 66.0 mt -53.71 -48.36 69.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.114 -0.991 . . . . 0.0 109.134 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -60.71 -34.55 74.56 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 1.054 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -61.87 -30.44 70.86 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.513 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.521 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 23.1 ttpt -63.68 -40.05 95.85 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.44 -37.44 83.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.341 -0.849 . . . . 0.0 109.223 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.918 . . . . 0.0 109.24 179.735 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -103.03 120.6 40.95 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.897 . . . . 0.0 109.492 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 46.6 m-85 -108.58 139.52 43.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.335 -0.853 . . . . 0.0 109.519 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.79 HG22 HG22 ' C' ' 329' ' ' THR . 0.1 OUTLIER -97.66 133.22 42.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.217 -0.927 . . . . 0.0 109.618 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.733 HD21 ' ND2' ' C' ' 345' ' ' ASN . 0.3 OUTLIER -117.79 87.03 2.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.341 -0.849 . . . . 0.0 109.032 179.611 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 12.8 tt0 -82.02 109.18 16.12 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.308 -0.87 . . . . 0.0 109.831 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -106.84 134.65 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -84.58 129.01 34.89 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.875 . . . . 0.0 109.538 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 136.96 -126.57 3.75 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 3.6 ttt180 177.09 -42.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.408 -1.054 . . . . 0.0 109.101 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -77.34 -36.7 53.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.233 -0.917 . . . . 0.0 109.165 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.547 ' CD ' HD13 ' C' ' 348' ' ' LEU . 26.0 mtm-85 -70.49 -33.38 71.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 108.924 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.446 ' CD1' HD12 ' C' ' 330' ' ' LEU . 80.9 t80 -66.35 -31.75 72.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.218 -0.926 . . . . 0.0 108.623 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 18.2 mt-10 -75.94 -37.12 59.03 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.511 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.9 mtp -54.8 -52.24 63.28 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.714 ' HE1' HD11 ' B' ' 344' ' ' LEU . 11.1 m-30 -65.87 -43.94 86.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.459 -0.776 . . . . 0.0 108.985 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -43.95 -31.95 1.01 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.528 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 4.0 tt0 -77.34 -43.38 33.17 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -57.98 -64.01 1.06 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.313 -0.867 . . . . 0.0 108.749 179.488 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.716 ' ND2' HD21 ' C' ' 330' ' ' LEU . 26.1 p-10 -58.5 -16.15 14.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 109.529 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 0.2 OUTLIER -68.03 -46.29 71.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.925 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 1.01 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.8 -46.43 58.25 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.265 -0.897 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.871 HD23 ' HB2' ' A' ' 347' ' ' ALA . 66.7 mt -52.58 -48.5 66.17 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.118 -0.989 . . . . 0.0 109.166 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -60.8 -34.6 74.76 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 1.107 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -61.47 -30.83 70.85 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.368 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 22.8 ttpt -63.72 -40.19 96.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.339 -0.851 . . . . 0.0 108.77 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.51 -37.29 83.17 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.333 -0.854 . . . . 0.0 109.075 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.211 -0.931 . . . . 0.0 109.227 179.694 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.32 0.581 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -99.37 114.6 27.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.608 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.613 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 84.2 m-85 -110.15 165.19 11.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.072 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.085 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -127.72 132.01 49.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.164 -0.96 . . . . 0.0 109.792 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.1 OUTLIER -112.41 94.41 4.91 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.417 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 6.1 tt0 -88.94 116.23 27.07 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.273 -0.892 . . . . 0.0 108.999 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.18 120.38 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.372 -0.83 . . . . 0.0 109.935 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -81.07 90.76 6.02 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 178.68 -151.9 10.85 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -154.55 -46.14 0.09 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.222 -1.164 . . . . 0.0 109.016 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.53 -48.67 31.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.249 -0.907 . . . . 0.0 109.188 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -61.89 -45.4 93.92 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.238 -0.914 . . . . 0.0 108.864 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 44.7 t80 -58.85 -36.57 74.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.281 -0.887 . . . . 0.0 108.948 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.18 -34.4 76.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.053 -1.03 . . . . 0.0 108.86 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.451 ' O ' HD23 ' A' ' 344' ' ' LEU . 3.6 mtm -59.7 -40.82 89.2 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.903 0.858 . . . . 0.0 109.145 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.666 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.7 m-30 -75.98 -30.78 58.71 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.889 0.852 . . . . 0.0 109.366 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 0.0 OUTLIER -59.83 -40.46 88.56 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.423 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 346' ' ' GLU . 28.3 tt0 -76.56 -50.9 12.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.155 -0.966 . . . . 0.0 109.464 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.846 HD12 HD12 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -48.6 -60.35 2.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.36 -0.838 . . . . 0.0 109.399 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.52 ' HB3' ' CE2' ' B' ' 341' ' ' PHE . 43.9 p-10 -66.86 -19.29 65.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.848 . . . . 0.0 110.061 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' A' ' 345' ' ' ASN . 2.4 tt0 -65.83 -51.7 56.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.886 -1.134 . . . . 0.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.597 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -67.15 -38.01 84.77 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.268 -0.895 . . . . 0.0 109.525 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.841 HD23 ' HB2' ' D' ' 347' ' ' ALA . 92.5 mt -56.57 -49.22 75.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.161 -0.962 . . . . 0.0 108.864 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -64.85 -24.89 67.68 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.0 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -70.77 -26.09 63.19 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.268 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.628 ' CA ' HD21 ' D' ' 350' ' ' LEU . 27.9 ttmt -69.06 -45.75 69.56 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.83 -33.1 71.32 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.361 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 109.813 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.343 0.592 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -98.2 115.35 28.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.419 -0.8 . . . . 0.0 109.7 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 83.6 m-85 -111.71 162.89 14.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.873 . . . . 0.0 109.263 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.085 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -124.51 139.05 54.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.269 -0.894 . . . . 0.0 109.478 179.724 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -118.75 84.13 2.13 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.7 tt0 -79.52 117.24 20.28 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.292 -0.88 . . . . 0.0 109.908 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.55 122.34 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.352 -0.843 . . . . 0.0 109.155 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -83.6 88.17 7.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.348 -0.845 . . . . 0.0 109.079 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.95 -149.81 8.48 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -155.18 -46.34 0.08 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.341 -1.094 . . . . 0.0 109.129 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 336' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' B' ' 336' ' ' GLU . 5.9 mm-40 -72.73 -48.48 38.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.152 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -62.27 -46.79 87.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.214 -0.929 . . . . 0.0 109.1 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 45.3 t80 -57.38 -37.29 72.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.245 -0.909 . . . . 0.0 109.002 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -35.94 80.01 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.222 -0.924 . . . . 0.0 108.825 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.471 ' O ' HD23 ' B' ' 344' ' ' LEU . 4.9 mtm -59.37 -41.67 89.84 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.662 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.9 m-30 -75.6 -26.7 58.07 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.55 -0.719 . . . . 0.0 109.09 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.0 OUTLIER -64.23 -37.52 87.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.297 -0.877 . . . . 0.0 109.092 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' B' ' 346' ' ' GLU . 28.9 tt0 -79.04 -50.14 11.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 109.208 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.828 HD12 HD12 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -49.36 -59.13 3.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 0.0 109.224 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' B' ' 346' ' ' GLU . 42.5 p-10 -67.93 -17.88 64.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.418 -0.801 . . . . 0.0 110.006 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' B' ' 345' ' ' ASN . 2.4 tt0 -67.89 -52.21 39.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.962 -1.086 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.663 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -66.44 -37.75 85.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.199 -0.938 . . . . 0.0 109.34 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.794 HD23 ' HB2' ' C' ' 347' ' ' ALA . 88.5 mt -57.06 -49.55 75.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.161 -0.962 . . . . 0.0 109.125 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.33 -27.53 69.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.254 -0.904 . . . . 0.0 108.649 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.986 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.26 -27.41 67.19 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.292 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.651 ' CA ' HD21 ' C' ' 350' ' ' LEU . 27.9 ttmt -68.84 -44.78 72.69 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.71 -31.62 70.9 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.517 -0.739 . . . . 0.0 109.389 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 0.0 109.516 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.329 0.585 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.429 ' OH ' ' HD2' ' D' ' 333' ' ' ARG . 14.7 m-85 -98.34 115.68 28.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.919 . . . . 0.0 109.65 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 82.3 m-85 -111.22 164.49 12.82 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.944 . . . . 0.0 109.175 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 329' ' ' THR . . . . . 1.082 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -126.6 134.67 50.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.129 -0.982 . . . . 0.0 109.787 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.538 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.95 86.36 2.43 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.578 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 4.8 tt0 -81.48 117.55 21.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.878 . . . . 0.0 109.57 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.28 120.65 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.446 ' HD2' ' OH ' ' D' ' 327' ' ' TYR . 3.9 ttt-85 -81.44 89.37 6.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.259 -0.901 . . . . 0.0 109.341 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.29 -151.25 10.02 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -153.89 -46.52 0.09 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -1.139 . . . . 0.0 109.162 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.25 -48.77 40.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.223 -0.923 . . . . 0.0 109.134 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -62.16 -46.27 89.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.401 -0.812 . . . . 0.0 109.088 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.607 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 44.9 t80 -57.77 -37.81 74.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.284 -0.885 . . . . 0.0 108.978 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 0.7 OUTLIER -66.95 -35.85 80.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.336 -0.852 . . . . 0.0 108.769 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.5 mtm -59.3 -41.62 89.41 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.639 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.8 m-30 -75.55 -26.78 58.27 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.58 -0.7 . . . . 0.0 109.158 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.0 OUTLIER -63.92 -38.13 89.95 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.312 -0.867 . . . . 0.0 109.127 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' C' ' 346' ' ' GLU . 28.1 tt0 -78.3 -50.56 11.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.296 -0.877 . . . . 0.0 109.247 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.828 HD12 HD12 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -48.75 -59.31 3.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.261 -0.899 . . . . 0.0 109.374 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.578 ' HB3' ' CE2' ' D' ' 341' ' ' PHE . 45.7 p-10 -68.52 -17.58 64.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.249 -0.907 . . . . 0.0 110.201 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' C' ' 345' ' ' ASN . 2.5 tt0 -68.02 -51.29 48.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.003 -1.06 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.794 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -67.1 -36.11 81.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.325 -0.859 . . . . 0.0 109.386 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' B' ' 347' ' ' ALA . 88.1 mt -59.04 -49.55 77.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.922 . . . . 0.0 109.145 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.96 -27.65 69.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.274 -0.891 . . . . 0.0 108.755 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.986 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -67.27 -27.4 67.16 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.693 ' CA ' HD21 ' B' ' 350' ' ' LEU . 27.4 ttmt -69.02 -43.9 73.82 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.443 -0.785 . . . . 0.0 108.899 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.5 -31.29 71.28 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.446 -0.784 . . . . 0.0 109.38 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.473 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.267 0.556 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.446 ' OH ' ' HD2' ' C' ' 333' ' ' ARG . 14.7 m-85 -98.13 115.55 28.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 109.593 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.607 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 82.4 m-85 -111.19 164.36 12.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.29 -0.881 . . . . 0.0 109.141 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 329' ' ' THR . . . . . 1.082 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -126.53 134.68 50.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.191 -0.943 . . . . 0.0 109.706 -179.773 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.526 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.97 86.06 2.38 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.7 tt0 -81.11 117.48 21.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.707 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.08 120.7 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.351 -0.843 . . . . 0.0 109.554 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.429 ' HD2' ' OH ' ' C' ' 327' ' ' TYR . 4.1 ttt-85 -81.69 89.65 6.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.238 -0.914 . . . . 0.0 109.37 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.12 -151.12 9.95 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -153.75 -46.89 0.09 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.324 -1.104 . . . . 0.0 109.12 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.13 -48.86 40.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 0.0 109.11 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -62.02 -46.34 89.63 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.235 -0.915 . . . . 0.0 109.136 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 45.0 t80 -57.65 -37.62 73.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.262 -0.899 . . . . 0.0 108.972 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -35.63 80.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.24 -0.913 . . . . 0.0 108.83 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.7 mtm -59.65 -41.63 90.98 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.655 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.8 m-30 -75.47 -26.82 58.52 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.0 OUTLIER -63.97 -38.0 89.49 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.303 -0.873 . . . . 0.0 109.179 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' D' ' 346' ' ' GLU . 28.5 tt0 -78.46 -50.27 11.95 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.404 -0.81 . . . . 0.0 109.234 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.846 HD12 HD12 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -49.06 -59.51 3.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 0.0 109.298 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.58 ' HB3' ' CE2' ' C' ' 341' ' ' PHE . 45.6 p-10 -68.17 -17.41 64.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.222 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.51 ' N ' ' OD1' ' D' ' 345' ' ' ASN . 2.4 tt0 -67.81 -51.76 44.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.954 -1.091 . . . . 0.0 109.268 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.841 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -66.74 -37.4 84.57 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.296 -0.877 . . . . 0.0 109.353 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.644 HD11 HD13 ' A' ' 344' ' ' LEU . 88.4 mt -57.69 -49.6 75.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.191 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.02 -28.04 69.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.262 -0.899 . . . . 0.0 108.639 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 1.0 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -66.94 -27.47 67.5 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.692 ' CA ' HD21 ' A' ' 350' ' ' LEU . 27.2 ttmt -69.26 -43.83 73.13 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.434 -0.791 . . . . 0.0 108.888 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.52 -31.17 71.17 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.564 -0.71 . . . . 0.0 109.199 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.366 -0.834 . . . . 0.0 109.453 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.341 0.591 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -99.55 118.0 35.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.269 -0.894 . . . . 0.0 109.56 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.603 ' HB3' ' CD1' ' B' ' 338' ' ' PHE . 84.0 m-85 -112.72 160.92 17.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.151 -0.968 . . . . 0.0 109.194 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.104 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -137.36 132.62 33.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.186 -0.946 . . . . 0.0 110.151 -178.894 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.859 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -108.97 96.99 6.7 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.176 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.776 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.7 OUTLIER -88.17 108.82 19.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.137 -0.977 . . . . 0.0 108.459 -179.581 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.572 HD11 HD23 ' A' ' 330' ' ' LEU . 2.9 mt -113.77 115.56 50.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.495 -0.753 . . . . 0.0 109.677 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -79.44 99.17 7.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.966 . . . . 0.0 108.674 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 176.08 -128.23 1.34 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 19.9 ttt180 179.74 -54.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.409 -1.054 . . . . 0.0 109.128 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 26.0 pt-20 -70.81 -45.84 63.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.231 -0.918 . . . . 0.0 109.232 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.895 ' HD3' HD22 ' B' ' 348' ' ' LEU . 8.0 mtm105 -64.04 -44.21 93.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.248 -0.908 . . . . 0.0 108.756 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.892 ' CE1' HD12 ' B' ' 330' ' ' LEU . 61.1 t80 -59.04 -32.36 69.68 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 342' ' ' ARG . 1.5 mt-10 -67.18 -43.0 83.27 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.167 -0.958 . . . . 0.0 108.545 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.42 ' SD ' ' OE2' ' C' ' 343' ' ' GLU . 4.0 mtp -48.79 -50.09 35.74 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.069 0.938 . . . . 0.0 108.819 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -65.42 -35.07 79.84 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.854 0.835 . . . . 0.0 109.173 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -56.45 -31.73 64.25 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.517 ' HG2' ' HE1' ' C' ' 340' ' ' MET . 0.9 OUTLIER -73.98 -60.96 2.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.753 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.516 ' HG ' ' HG ' ' D' ' 344' ' ' LEU . 1.5 mm? -54.85 -61.89 2.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.014 -1.054 . . . . 0.0 108.492 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.489 ' ND2' HD23 ' B' ' 330' ' ' LEU . 11.1 t-20 -44.38 -31.65 1.12 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.641 -0.662 . . . . 0.0 109.268 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 343' ' ' GLU . 0.9 OUTLIER -69.48 -49.14 57.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.226 -0.921 . . . . 0.0 110.175 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.483 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -61.52 -39.93 92.82 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.112 -0.992 . . . . 0.0 109.695 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.836 HD22 ' HD3' ' B' ' 337' ' ' ARG . 60.7 mt -60.03 -51.41 69.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -59.05 -25.74 63.99 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.034 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -74.43 -31.87 62.44 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 120.967 -1.083 . . . . 0.0 108.36 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.599 ' CA ' HD21 ' D' ' 350' ' ' LEU . 7.7 ttmt -60.07 -38.39 82.73 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -30.39 65.83 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.462 -0.774 . . . . 0.0 109.763 179.891 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.407 0.623 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -97.86 118.93 35.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.389 -0.819 . . . . 0.0 109.551 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.576 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 83.4 m-85 -114.58 158.9 21.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -0.897 . . . . 0.0 109.312 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.104 HG22 HG22 ' A' ' 329' ' ' THR . 0.3 OUTLIER -134.82 138.13 43.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 109.991 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.892 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -113.87 89.55 3.12 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.016 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.704 ' HG2' HG23 ' A' ' 329' ' ' THR . 0.9 OUTLIER -80.91 106.95 13.31 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.278 -0.889 . . . . 0.0 109.668 -179.378 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.464 HD11 HD23 ' B' ' 330' ' ' LEU . 2.8 mp -111.47 118.3 57.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.391 -0.818 . . . . 0.0 109.095 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -83.03 96.6 8.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 108.86 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 177.75 -127.39 1.18 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 21.1 ttt180 -179.72 -54.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.322 -1.105 . . . . 0.0 109.204 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 336' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 26.0 pt-20 -69.77 -45.53 67.82 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.253 -0.904 . . . . 0.0 109.203 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.836 ' HD3' HD22 ' A' ' 348' ' ' LEU . 8.0 mtm105 -64.6 -44.97 88.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.279 -0.888 . . . . 0.0 109.047 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.859 ' CE1' HD12 ' A' ' 330' ' ' LEU . 61.1 t80 -58.22 -32.37 68.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.199 -0.938 . . . . 0.0 108.634 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 342' ' ' ARG . 1.4 mt-10 -67.23 -44.26 79.94 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.526 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 4.4 mtp -48.87 -50.39 35.03 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -65.35 -31.92 73.29 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -60.59 -27.76 67.97 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.514 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.516 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 0.8 OUTLIER -76.12 -63.42 1.32 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.446 -0.784 . . . . 0.0 109.074 179.583 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.581 ' H ' HD22 ' B' ' 344' ' ' LEU . 1.7 mm? -51.95 -65.58 0.53 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.085 -1.009 . . . . 0.0 108.287 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.592 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 8.8 t-20 -40.65 -31.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.596 -0.69 . . . . 0.0 109.615 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 0.9 OUTLIER -71.42 -49.07 45.42 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.34 -0.85 . . . . 0.0 109.803 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.506 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -61.16 -39.32 89.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.146 -0.971 . . . . 0.0 109.611 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.895 HD22 ' HD3' ' A' ' 337' ' ' ARG . 55.9 mt -61.81 -50.75 71.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.894 . . . . 0.0 108.67 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.23 -27.18 65.51 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 1.017 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -72.29 -34.49 68.21 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.354 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.624 ' CA ' HD21 ' C' ' 350' ' ' LEU . 7.7 ttmt -58.17 -38.12 76.05 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -28.9 63.71 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.452 -0.78 . . . . 0.0 109.493 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.308 0.575 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -99.5 119.26 37.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.595 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 82.2 m-85 -114.16 159.9 19.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.18 -0.95 . . . . 0.0 109.171 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 329' ' ' THR . . . . . 1.064 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -136.24 135.49 39.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.098 -1.001 . . . . 0.0 110.171 -179.226 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.917 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -111.67 90.29 3.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.326 -0.859 . . . . 0.0 108.903 179.142 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.689 ' HG2' HG23 ' D' ' 329' ' ' THR . 0.9 OUTLIER -81.35 107.59 14.26 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.242 -0.911 . . . . 0.0 109.599 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.503 HD11 HD23 ' C' ' 330' ' ' LEU . 2.8 mp -112.58 116.76 53.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.432 -0.792 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -80.92 97.33 7.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.169 -0.957 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.42 -128.15 1.32 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -178.67 -53.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.22 -1.165 . . . . 0.0 109.284 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 336' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' C' ' 337' ' ' ARG . 26.1 pt-20 -70.23 -45.67 66.04 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 109.159 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.826 ' HD3' HD22 ' D' ' 348' ' ' LEU . 7.8 mtm105 -64.47 -44.64 90.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.202 -0.936 . . . . 0.0 108.912 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.93 ' CE1' HD12 ' D' ' 330' ' ' LEU . 60.9 t80 -58.61 -32.54 69.09 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' C' ' 342' ' ' ARG . 1.4 mt-10 -67.07 -43.73 81.89 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.517 ' HE1' ' HG2' ' A' ' 343' ' ' GLU . 4.4 mtp -49.28 -49.9 41.5 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -65.62 -31.73 72.91 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -60.49 -27.11 67.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.176 -0.953 . . . . 0.0 108.504 179.053 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.7 OUTLIER -77.17 -63.35 1.39 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.383 -0.823 . . . . 0.0 109.009 179.378 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.523 ' H ' HD22 ' C' ' 344' ' ' LEU . 1.4 mm? -51.92 -65.47 0.55 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.54 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 10.2 t-20 -41.49 -29.89 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.529 -0.732 . . . . 0.0 109.755 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' C' ' 343' ' ' GLU . 0.9 OUTLIER -72.88 -48.22 39.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 109.912 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.511 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -62.33 -35.7 79.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.0 109.475 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.808 HD22 ' HD3' ' D' ' 337' ' ' ARG . 58.9 mt -65.03 -50.48 66.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.118 -0.989 . . . . 0.0 108.697 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.28 -27.41 65.81 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 1.017 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -71.94 -34.24 68.88 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.352 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.646 ' CA ' HD21 ' B' ' 350' ' ' LEU . 7.7 ttmt -58.42 -37.56 75.61 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -28.62 62.76 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 O-C-N 121.5 -0.75 . . . . 0.0 109.388 179.86 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.323 0.582 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -99.39 118.71 36.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.424 -0.798 . . . . 0.0 109.49 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 83.7 m-85 -113.7 159.66 19.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.905 . . . . 0.0 109.248 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 329' ' ' THR . . . . . 1.064 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -136.24 135.53 39.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.028 -1.045 . . . . 0.0 110.102 -179.23 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.93 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -111.76 90.18 3.27 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.351 -0.843 . . . . 0.0 108.885 179.155 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.713 ' HG2' HG23 ' C' ' 329' ' ' THR . 0.9 OUTLIER -81.23 107.76 14.29 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.258 -0.901 . . . . 0.0 109.533 -179.612 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.511 HD11 HD23 ' D' ' 330' ' ' LEU . 2.8 mp -112.58 116.9 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.344 -0.847 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -81.22 97.72 7.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.169 -0.957 . . . . 0.0 109.524 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.16 -127.99 1.31 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -178.6 -53.84 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.177 -1.19 . . . . 0.0 109.239 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 336' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 26.1 pt-20 -70.03 -45.61 66.82 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.896 . . . . 0.0 109.184 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.808 ' HD3' HD22 ' C' ' 348' ' ' LEU . 7.8 mtm105 -64.83 -44.28 90.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.88 . . . . 0.0 108.967 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.917 ' CE1' HD12 ' C' ' 330' ' ' LEU . 60.5 t80 -58.85 -32.2 69.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.139 -0.976 . . . . 0.0 108.672 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' D' ' 342' ' ' ARG . 1.4 mt-10 -67.23 -43.46 81.92 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.516 ' HE1' ' HG2' ' B' ' 343' ' ' GLU . 4.4 mtp -49.53 -49.91 44.07 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -65.8 -31.12 71.91 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -61.17 -26.77 67.94 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.201 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.526 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 0.8 OUTLIER -77.39 -63.13 1.44 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.422 -0.799 . . . . 0.0 109.044 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.516 ' HG ' ' HG ' ' A' ' 344' ' ' LEU . 1.4 mm? -52.41 -65.05 0.63 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.083 -1.011 . . . . 0.0 108.326 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.534 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 10.5 t-20 -41.68 -29.74 0.2 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.524 -0.735 . . . . 0.0 109.683 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' D' ' 343' ' ' GLU . 0.9 OUTLIER -72.56 -48.54 39.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 109.775 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.518 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -61.27 -38.75 87.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.183 -0.948 . . . . 0.0 109.46 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.826 HD22 ' HD3' ' C' ' 337' ' ' ARG . 56.7 mt -62.4 -50.55 71.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.159 -0.963 . . . . 0.0 108.779 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.48 -27.39 66.08 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 1.034 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -71.96 -34.56 69.07 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.359 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.668 ' CA ' HD21 ' A' ' 350' ' ' LEU . 7.7 ttmt -58.23 -38.03 76.04 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -28.66 63.33 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.433 -0.792 . . . . 0.0 109.441 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.601 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 5.7 m-85 -103.28 109.11 20.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.0 109.372 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.554 ' HB3' ' CD1' ' B' ' 338' ' ' PHE . 27.1 m-85 -102.38 163.1 12.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.153 -0.967 . . . . 0.0 108.888 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.132 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -127.25 137.73 52.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.703 -179.723 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.604 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.2 OUTLIER -117.97 97.37 5.78 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 178.622 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.633 ' HG2' HG23 ' B' ' 329' ' ' THR . 52.8 mt-30 -87.89 109.43 19.77 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.408 -0.917 . . . . 0.0 108.572 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -101.85 118.03 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.437 -0.789 . . . . 0.0 109.61 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 5.3 mtm180 -78.29 91.47 4.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 108.814 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.75 -143.73 8.54 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -159.49 -57.3 0.06 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.253 -1.145 . . . . 0.0 108.786 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.36 -48.32 79.33 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.283 -0.886 . . . . 0.0 108.868 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.737 ' HD3' HD22 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -59.25 -39.24 82.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 0.0 108.894 179.472 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.566 ' CE1' HD12 ' B' ' 330' ' ' LEU . 88.7 t80 -60.37 -36.15 77.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.917 . . . . 0.0 109.109 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.11 -37.4 72.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.157 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.574 ' HE3' HD21 ' C' ' 344' ' ' LEU . 2.0 mtp -57.61 -47.22 82.78 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 122.002 0.906 . . . . 0.0 109.302 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.543 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.3 m-30 -70.21 -33.82 72.14 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 121.745 0.783 . . . . 0.0 109.079 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -35.67 63.66 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.463 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 19.0 tp10 -72.9 -60.88 2.02 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.403 -0.811 . . . . 0.0 109.791 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' D' ' 348' ' ' LEU . 0.9 OUTLIER -52.06 -62.8 1.41 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.691 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.518 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 9.4 t-20 -44.77 -33.48 1.91 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.635 -0.666 . . . . 0.0 109.977 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.73 -48.35 64.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.969 . . . . 0.0 110.214 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -61.67 -46.11 91.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.053 -1.029 . . . . 0.0 109.841 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.673 HD22 ' HD3' ' B' ' 337' ' ' ARG . 29.9 mt -54.66 -54.3 43.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.183 -0.948 . . . . 0.0 109.055 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -25.32 64.59 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.192 -0.943 . . . . 0.0 108.901 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.946 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -73.94 -30.55 62.61 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.026 -1.046 . . . . 0.0 108.457 179.605 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.637 ' CA ' HD21 ' D' ' 350' ' ' LEU . 7.8 tttt -62.41 -39.58 93.73 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.46 -27.61 62.41 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.248 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.244 -0.91 . . . . 0.0 109.864 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.288 0.566 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.586 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 6.0 m-85 -104.21 107.43 18.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.361 -0.837 . . . . 0.0 109.603 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.537 ' HB3' ' CD1' ' A' ' 338' ' ' PHE . 27.5 m-85 -101.85 161.05 13.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -0.91 . . . . 0.0 109.292 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.132 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -124.7 144.12 50.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.31 -0.869 . . . . 0.0 109.499 179.661 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.604 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -123.89 89.67 3.13 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.529 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 53.4 mt-30 -80.31 108.36 13.86 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.443 -0.903 . . . . 0.0 109.846 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -100.57 119.32 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.372 -0.83 . . . . 0.0 109.178 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.601 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 5.3 mtm180 -80.01 89.3 5.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.329 -0.857 . . . . 0.0 109.079 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.47 -141.87 7.06 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -160.02 -57.51 0.06 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.331 -1.099 . . . . 0.0 108.889 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.93 -48.06 79.18 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.327 -0.858 . . . . 0.0 108.836 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.673 ' HD3' HD22 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -59.53 -40.48 87.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -0.873 . . . . 0.0 109.153 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 330' ' ' LEU . 88.4 t80 -59.19 -36.11 74.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.269 -0.895 . . . . 0.0 109.088 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.32 -38.06 71.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.339 -0.851 . . . . 0.0 108.92 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.56 ' HE3' HD21 ' D' ' 344' ' ' LEU . 2.0 mtp -57.76 -47.06 83.59 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.528 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.6 m-30 -70.88 -30.95 67.47 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.506 -0.746 . . . . 0.0 109.008 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -33.35 68.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.09 -1.006 . . . . 0.0 108.437 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 19.4 tp10 -73.23 -64.76 0.91 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.482 -0.761 . . . . 0.0 109.132 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.635 HD11 HD11 ' C' ' 348' ' ' LEU . 1.2 mm? -47.71 -68.13 0.21 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.085 -1.009 . . . . 0.0 108.382 179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 7.6 t-20 -39.42 -34.79 0.23 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.636 -0.665 . . . . 0.0 110.135 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' B' ' 343' ' ' GLU . 7.6 tp10 -69.03 -48.71 62.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.217 -0.927 . . . . 0.0 110.164 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.547 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -61.29 -45.02 96.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.085 -1.009 . . . . 0.0 109.72 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.737 HD22 ' HD3' ' A' ' 337' ' ' ARG . 29.6 mt -56.4 -54.71 42.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.271 -0.893 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.18 -26.84 65.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.246 -0.909 . . . . 0.0 109.151 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.941 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -71.55 -32.69 68.41 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.648 ' CA ' HD21 ' C' ' 350' ' ' LEU . 8.0 tttt -60.69 -39.36 88.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.336 -0.853 . . . . 0.0 108.82 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -25.65 60.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.501 -0.75 . . . . 0.0 109.23 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.0 109.579 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.308 0.575 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.601 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 5.8 m-85 -104.9 107.67 18.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 109.602 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.563 ' HB3' ' CD1' ' D' ' 338' ' ' PHE . 27.7 m-85 -101.66 161.23 13.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.162 -0.961 . . . . 0.0 109.228 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 329' ' ' THR . . . . . 1.005 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -125.45 140.83 52.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.21 -0.931 . . . . 0.0 109.78 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -121.46 89.66 3.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.372 -0.83 . . . . 0.0 109.028 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.529 ' HG2' HG23 ' D' ' 329' ' ' THR . 51.0 mt-30 -80.13 109.0 14.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.176 -0.953 . . . . 0.0 109.587 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.4 118.78 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.32 -0.863 . . . . 0.0 109.34 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.602 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 5.3 mtm180 -78.7 90.54 4.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.228 -0.92 . . . . 0.0 109.403 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.42 -142.59 7.74 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -158.83 -57.24 0.07 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.268 -1.136 . . . . 0.0 109.041 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.06 -48.13 79.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 0.0 108.886 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.705 ' HD3' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.69 -39.57 84.99 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.274 -0.891 . . . . 0.0 109.019 179.513 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.609 ' CE1' HD12 ' D' ' 330' ' ' LEU . 88.4 t80 -59.69 -36.76 77.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.913 . . . . 0.0 109.105 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.92 -37.97 72.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 0.0 108.978 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.531 ' HE3' HD21 ' A' ' 344' ' ' LEU . 2.1 mtp -57.6 -46.85 83.54 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.832 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.555 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.5 m-30 -71.0 -31.27 67.75 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.461 -0.774 . . . . 0.0 109.062 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -33.19 67.07 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.096 -1.002 . . . . 0.0 108.574 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.461 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 19.0 tp10 -73.85 -64.46 1.0 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.338 -0.851 . . . . 0.0 109.052 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.577 ' CD1' HD11 ' B' ' 348' ' ' LEU . 0.8 OUTLIER -47.9 -68.04 0.22 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.077 -1.015 . . . . 0.0 108.4 179.505 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.549 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 8.8 t-20 -40.11 -34.17 0.28 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.635 -0.666 . . . . 0.0 110.267 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' C' ' 343' ' ' GLU . 7.3 tp10 -69.84 -48.53 58.57 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.161 -0.962 . . . . 0.0 110.219 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.553 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -61.54 -42.17 98.43 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.142 -0.974 . . . . 0.0 109.566 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.719 HD22 ' HD3' ' D' ' 337' ' ' ARG . 29.4 mt -59.2 -54.56 45.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.111 -0.993 . . . . 0.0 109.393 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.02 -26.56 64.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.241 -0.912 . . . . 0.0 109.252 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.941 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -71.7 -32.88 68.3 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.398 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.678 ' CA ' HD21 ' B' ' 350' ' ' LEU . 7.8 tttt -60.48 -39.11 86.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.377 -0.827 . . . . 0.0 108.892 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -25.67 60.55 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.45 -0.781 . . . . 0.0 109.282 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.344 -0.847 . . . . 0.0 109.582 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.602 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 5.6 m-85 -104.8 107.53 18.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.252 -0.905 . . . . 0.0 109.556 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.593 ' HB3' ' CD1' ' C' ' 338' ' ' PHE . 27.8 m-85 -101.46 161.11 13.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.202 -0.936 . . . . 0.0 109.282 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 329' ' ' THR . . . . . 1.005 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -125.25 140.99 52.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.244 -0.91 . . . . 0.0 109.718 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.609 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.2 OUTLIER -121.6 89.82 3.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.362 -0.837 . . . . 0.0 108.94 179.594 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.538 ' HG2' HG23 ' C' ' 329' ' ' THR . 51.2 mt-30 -80.24 108.94 14.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -0.916 . . . . 0.0 109.742 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.12 118.89 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.91 . . . . 0.0 109.368 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.601 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 5.3 mtm180 -79.0 90.76 4.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.227 -0.921 . . . . 0.0 109.444 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.16 -142.78 7.89 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -158.51 -57.25 0.07 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -1.133 . . . . 0.0 108.982 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.95 -48.46 78.28 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.215 -0.928 . . . . 0.0 108.957 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.719 ' HD3' HD22 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.34 -39.5 83.39 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 0.0 109.074 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.627 ' CE1' HD12 ' C' ' 330' ' ' LEU . 88.0 t80 -59.67 -37.02 77.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 109.142 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.8 -37.86 73.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.317 -0.864 . . . . 0.0 108.916 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.615 ' HE3' HD21 ' B' ' 344' ' ' LEU . 2.1 mtp -57.6 -47.1 83.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.39 -0.819 . . . . 0.0 108.834 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.534 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.5 m-30 -70.86 -30.54 66.97 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.483 -0.761 . . . . 0.0 109.099 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -32.89 68.31 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.093 -1.005 . . . . 0.0 108.572 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 19.5 tp10 -73.65 -64.41 1.0 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.413 -0.804 . . . . 0.0 109.124 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.601 ' CD1' HD11 ' A' ' 348' ' ' LEU . 0.9 OUTLIER -48.37 -67.53 0.26 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.025 -1.047 . . . . 0.0 108.512 179.486 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.54 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 8.7 t-20 -40.43 -33.6 0.27 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.607 -0.683 . . . . 0.0 110.162 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' D' ' 343' ' ' GLU . 7.6 tp10 -69.85 -48.76 57.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.191 -0.943 . . . . 0.0 110.128 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.542 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -60.67 -44.85 95.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.119 -0.988 . . . . 0.0 109.523 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.705 HD22 ' HD3' ' C' ' 337' ' ' ARG . 29.6 mt -56.93 -55.03 39.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.98 -26.95 64.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.207 -0.933 . . . . 0.0 109.223 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.946 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -71.44 -32.84 68.81 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.402 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.667 ' CA ' HD21 ' A' ' 350' ' ' LEU . 8.0 tttt -60.71 -39.08 87.23 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.357 -0.839 . . . . 0.0 108.962 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -25.25 60.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.387 -0.821 . . . . 0.0 109.17 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.346 -0.846 . . . . 0.0 109.631 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 326' ' ' GLU . . . . . 0.449 ' HB2' ' CE2' ' A' ' 328' ' ' PHE . 1.4 mm-40 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.559 ' CD1' ' NE2' ' B' ' 331' ' ' GLN . 9.2 m-85 -99.91 115.04 28.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.185 -0.947 . . . . 0.0 109.563 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' A' ' 326' ' ' GLU . 99.0 m-85 -115.24 152.57 32.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.266 -0.896 . . . . 0.0 109.258 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.923 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -117.79 124.56 48.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.138 -0.976 . . . . 0.0 109.597 -179.707 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.497 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.3 OUTLIER -104.46 93.96 5.07 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.534 ' NE2' ' CD1' ' B' ' 327' ' ' TYR . 45.5 tt0 -88.6 116.27 26.72 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.001 -1.062 . . . . 0.0 109.084 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -118.92 129.46 75.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.385 -0.822 . . . . 0.0 109.767 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.9 ttp-105 -88.13 94.79 9.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.36 -0.837 . . . . 0.0 108.981 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.53 -138.66 3.38 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -168.98 -48.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.37 -1.076 . . . . 0.0 108.986 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.61 -41.47 45.9 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.228 -0.92 . . . . 0.0 109.168 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.811 ' HD2' HD13 ' B' ' 348' ' ' LEU . 4.4 mtm-85 -66.74 -40.33 88.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 0.0 108.906 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.483 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 90.1 t80 -62.01 -38.79 89.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.313 -0.867 . . . . 0.0 109.05 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.81 -44.27 86.15 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.158 -0.964 . . . . 0.0 109.048 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.1 mtp -51.56 -53.0 42.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 109.586 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' B' ' 344' ' ' LEU . 11.7 m-85 -62.4 -33.67 75.22 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.829 0.823 . . . . 0.0 109.27 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -34.05 72.78 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.96 -52.66 16.05 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.153 -0.967 . . . . 0.0 109.507 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.626 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.7 mm? -52.62 -48.37 66.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.15 -0.969 . . . . 0.0 109.243 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.408 ' CG ' ' CE2' ' B' ' 341' ' ' PHE . 0.6 OUTLIER -65.5 -25.73 67.6 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.382 -0.824 . . . . 0.0 109.639 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.45 -45.59 79.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.856 . . . . 0.0 109.653 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.892 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -69.72 -43.61 72.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 0.0 109.603 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.77 HD13 ' HD2' ' B' ' 337' ' ' ARG . 87.9 mt -55.21 -52.3 63.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.201 -0.937 . . . . 0.0 109.0 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.45 -28.35 69.21 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.295 -0.878 . . . . 0.0 108.819 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.998 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -69.76 -27.73 65.18 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 121.048 -1.032 . . . . 0.0 108.255 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.529 ' CG ' HD22 ' D' ' 350' ' ' LEU . 11.7 tttm -67.94 -39.8 83.4 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.24 -44.27 95.36 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.422 -0.799 . . . . 0.0 109.235 179.544 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.462 ' HB2' ' CE2' ' B' ' 328' ' ' PHE . 1.5 mm-40 . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.272 0.558 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.534 ' CD1' ' NE2' ' A' ' 331' ' ' GLN . 9.9 m-85 -99.8 115.77 30.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.395 -0.816 . . . . 0.0 109.488 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' B' ' 326' ' ' GLU . 99.1 m-85 -116.41 151.9 35.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.483 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.923 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -116.19 131.1 57.04 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.219 -0.925 . . . . 0.0 109.163 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.483 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.3 OUTLIER -110.99 82.28 1.57 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -0.817 . . . . 0.0 108.855 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.559 ' NE2' ' CD1' ' A' ' 327' ' ' TYR . 48.8 tt0 -77.93 117.82 19.64 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.253 -0.904 . . . . 0.0 110.015 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.22 131.12 73.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.379 -0.826 . . . . 0.0 109.015 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' B' ' 333' ' ' ARG . 27.9 ttp-105 -90.43 92.3 8.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.301 -0.875 . . . . 0.0 109.205 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.93 -137.94 2.93 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.336 -1.505 . . . . 0.0 109.336 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -168.96 -48.03 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -1.089 . . . . 0.0 109.141 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -76.1 -41.06 51.5 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.348 -0.845 . . . . 0.0 109.19 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.77 ' HD2' HD13 ' A' ' 348' ' ' LEU . 3.4 mtt-85 -66.78 -42.09 86.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.234 -0.916 . . . . 0.0 109.227 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 90.9 t80 -60.58 -39.61 88.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.229 -0.919 . . . . 0.0 109.25 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.9 -46.64 80.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.159 -0.963 . . . . 0.0 108.948 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.9 mtp -50.58 -54.75 20.17 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.443 -0.785 . . . . 0.0 108.899 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 344' ' ' LEU . 15.5 m-85 -61.29 -29.77 70.07 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -0.809 . . . . 0.0 109.209 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -33.36 75.59 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.23 -0.919 . . . . 0.0 109.048 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.16 -53.29 15.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.295 -0.878 . . . . 0.0 109.568 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.694 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.8 mm? -52.47 -49.53 64.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.116 -0.99 . . . . 0.0 108.929 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -26.7 68.86 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -0.802 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.65 -45.6 78.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.195 -0.94 . . . . 0.0 109.705 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.976 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -69.97 -41.34 74.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.157 -0.964 . . . . 0.0 109.653 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.811 HD13 ' HD2' ' A' ' 337' ' ' ARG . 91.9 mt -57.09 -53.07 62.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 109.359 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.14 -33.47 72.21 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.36 -0.837 . . . . 0.0 108.874 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 1.03 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.22 -30.68 71.78 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' C' ' 350' ' ' LEU . 11.6 tttm -66.17 -40.16 90.29 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.16 -43.49 95.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.408 -0.808 . . . . 0.0 108.846 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.475 0 O-C-N 121.393 -0.817 . . . . 0.0 109.084 179.593 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 326' ' ' GLU . . . . . 0.443 ' HB2' ' CE2' ' C' ' 328' ' ' PHE . 1.4 mm-40 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' NE2' ' D' ' 331' ' ' GLN . 9.7 m-85 -100.82 115.9 31.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 109.482 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' C' ' 326' ' ' GLU . 99.1 m-85 -115.96 152.56 33.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.931 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -117.37 126.56 52.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 109.556 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.449 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.3 OUTLIER -106.59 85.45 2.17 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.322 -0.861 . . . . 0.0 109.192 179.754 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.444 ' NE2' ' CD1' ' D' ' 327' ' ' TYR . 48.5 tt0 -80.93 117.26 21.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.806 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.74 130.75 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.863 . . . . 0.0 109.176 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.3 ttp-105 -89.41 93.65 9.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.168 -0.957 . . . . 0.0 109.582 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.05 -138.37 3.2 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -168.3 -47.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.323 -1.104 . . . . 0.0 109.115 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -76.34 -41.07 49.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.227 -0.92 . . . . 0.0 109.185 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.673 ' HD3' HD22 ' D' ' 348' ' ' LEU . 3.4 mtt-85 -66.78 -41.81 87.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.326 -0.859 . . . . 0.0 109.082 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.459 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 89.8 t80 -60.72 -40.7 93.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.275 -0.891 . . . . 0.0 109.147 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.7 -47.18 82.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.259 -0.901 . . . . 0.0 108.949 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.1 mtp -49.89 -53.64 24.62 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.335 -0.853 . . . . 0.0 108.988 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.473 ' CE2' ' CG ' ' D' ' 345' ' ' ASN . 15.6 m-85 -62.36 -29.22 70.31 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.416 -0.803 . . . . 0.0 109.287 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -32.98 74.82 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.333 -0.854 . . . . 0.0 109.14 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.91 -53.5 12.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.3 -0.875 . . . . 0.0 109.582 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.5 mm? -52.28 -49.25 64.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.2 -0.938 . . . . 0.0 108.955 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.472 ' CG ' ' CE2' ' D' ' 341' ' ' PHE . 0.6 OUTLIER -64.37 -26.49 68.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.471 -0.768 . . . . 0.0 109.541 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.43 -44.53 78.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.306 -0.871 . . . . 0.0 109.503 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.917 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -71.18 -38.36 72.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.258 -0.901 . . . . 0.0 109.609 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.675 HD22 ' HD3' ' D' ' 337' ' ' ARG . 91.6 mt -60.26 -52.64 64.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.022 -1.049 . . . . 0.0 109.308 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.66 -33.49 71.62 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.332 -0.855 . . . . 0.0 109.039 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 1.03 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -63.77 -30.38 71.48 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.614 ' HG3' HD22 ' B' ' 350' ' ' LEU . 11.9 tttm -66.14 -39.6 89.96 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.75 -43.53 97.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.311 -0.868 . . . . 0.0 108.859 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.382 -0.824 . . . . 0.0 109.185 179.678 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 326' ' ' GLU . . . . . 0.445 ' HB2' ' CE2' ' D' ' 328' ' ' PHE . 1.5 mm-40 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.29 0.566 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.444 ' CD1' ' NE2' ' C' ' 331' ' ' GLN . 10.0 m-85 -100.41 115.7 30.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.23 -0.919 . . . . 0.0 109.579 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' D' ' 326' ' ' GLU . 99.0 m-85 -115.94 152.7 32.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.205 -0.934 . . . . 0.0 109.305 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.931 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -117.51 126.54 52.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 109.573 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.459 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.3 OUTLIER -106.66 85.59 2.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.337 -0.852 . . . . 0.0 109.169 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.432 ' NE2' ' CD1' ' C' ' 327' ' ' TYR . 48.2 tt0 -80.68 117.3 21.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.264 -0.897 . . . . 0.0 109.769 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.78 130.96 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.24 -0.912 . . . . 0.0 109.362 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -89.74 93.98 9.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.27 -0.894 . . . . 0.0 109.582 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.72 -138.73 3.44 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -167.82 -47.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.373 -1.075 . . . . 0.0 109.098 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -76.32 -41.39 48.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.288 -0.883 . . . . 0.0 109.195 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.675 ' HD3' HD22 ' C' ' 348' ' ' LEU . 3.5 mtt-85 -66.56 -41.34 88.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.343 -0.848 . . . . 0.0 109.186 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 90.5 t80 -61.18 -40.23 93.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.245 -0.91 . . . . 0.0 109.218 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.98 -46.87 82.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.175 -0.953 . . . . 0.0 108.911 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.1 mtp -50.24 -53.86 25.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.345 -0.847 . . . . 0.0 108.916 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 14.6 m-85 -61.86 -29.17 70.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.478 -0.764 . . . . 0.0 109.292 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -32.3 73.96 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.405 -0.81 . . . . 0.0 109.185 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.02 -53.34 13.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.317 -0.865 . . . . 0.0 109.506 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.3 mm? -52.47 -49.72 64.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.145 -0.972 . . . . 0.0 108.979 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.473 ' CG ' ' CE2' ' C' ' 341' ' ' PHE . 0.6 OUTLIER -63.83 -26.18 68.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.438 -0.789 . . . . 0.0 109.527 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.29 -45.38 76.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.535 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.923 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -69.97 -40.49 75.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.898 . . . . 0.0 109.643 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.673 HD22 ' HD3' ' C' ' 337' ' ' ARG . 85.5 mt -58.66 -52.48 65.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.171 -0.956 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.94 -33.79 72.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.251 -0.906 . . . . 0.0 108.901 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.998 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -63.18 -30.59 71.71 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.57 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.628 ' HG3' HD22 ' A' ' 350' ' ' LEU . 11.4 tttm -66.28 -39.77 89.61 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.437 -0.789 . . . . 0.0 108.908 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.43 -43.04 97.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.337 -0.852 . . . . 0.0 108.752 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.461 0 O-C-N 121.338 -0.851 . . . . 0.0 109.225 179.694 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.309 0.576 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' CD ' ' B' ' 333' ' ' ARG . 13.8 m-85 -110.21 109.55 20.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 0.0 109.523 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 32.8 m-85 -96.59 176.26 6.09 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.226 -0.921 . . . . 0.0 109.096 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.048 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -133.3 133.96 43.25 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.306 -0.871 . . . . 0.0 109.571 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.2 OUTLIER -116.2 96.5 5.58 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.439 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.654 ' HG3' HG23 ' B' ' 329' ' ' THR . 3.3 mt-30 -88.62 111.82 22.35 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.243 -0.911 . . . . 0.0 108.782 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 330' ' ' LEU . 4.3 mt -111.81 136.63 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.378 -0.827 . . . . 0.0 109.851 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.441 ' CD ' ' CZ ' ' B' ' 327' ' ' TYR . 1.2 ttp85 -95.14 130.54 41.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.358 -0.839 . . . . 0.0 109.017 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 136.6 -124.59 3.2 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 0.6 OUTLIER 178.09 -52.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.32 -1.106 . . . . 0.0 109.135 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -66.81 -50.3 63.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 0.0 108.999 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.752 ' HD3' HD22 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -56.54 -43.01 79.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.21 -0.931 . . . . 0.0 108.866 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.68 ' CE1' HD12 ' B' ' 330' ' ' LEU . 75.4 t80 -58.77 -37.07 75.45 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.314 -0.866 . . . . 0.0 108.993 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 10.2 mt-10 -62.5 -40.81 97.89 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.262 -0.899 . . . . 0.0 108.802 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 mtm -58.45 -50.9 72.03 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.79 0.805 . . . . 0.0 109.31 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.595 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.4 m-85 -62.73 -27.81 69.53 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.764 0.792 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -68.05 -30.83 70.14 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.76 -55.92 5.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.433 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.593 HD11 ' HE1' ' C' ' 341' ' ' PHE . 1.0 OUTLIER -54.57 -44.43 72.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 0.0 108.761 179.613 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 341' ' ' PHE . 8.8 t-20 -64.95 -28.81 69.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.603 -0.686 . . . . 0.0 109.227 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.19 -45.73 69.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.565 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.711 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -64.86 -47.66 77.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.089 -1.007 . . . . 0.0 109.564 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.71 HD22 ' HD3' ' B' ' 337' ' ' ARG . 22.5 mt -54.24 -55.41 28.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.0 108.526 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -56.83 -26.77 59.01 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.952 ' CD1' HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -68.5 -37.0 79.7 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.538 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 15.8 ttpp -57.72 -40.75 80.31 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -29.85 69.02 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.445 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.204 -0.935 . . . . 0.0 109.857 -179.886 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.296 0.57 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.441 ' CZ ' ' CD ' ' A' ' 333' ' ' ARG . 13.6 m-85 -110.92 108.9 18.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -0.922 . . . . 0.0 109.63 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 34.1 m-85 -97.8 169.85 9.38 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.211 -0.931 . . . . 0.0 109.37 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.048 HG22 HG22 ' A' ' 329' ' ' THR . 0.3 OUTLIER -126.06 141.3 52.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.442 -0.786 . . . . 0.0 109.777 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.68 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -123.29 87.93 2.83 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.425 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 2.8 mt-30 -80.77 112.72 18.42 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.18 -0.95 . . . . 0.0 109.708 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.64 136.35 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 109.556 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.456 ' CD ' ' CZ ' ' A' ' 327' ' ' TYR . 1.1 ttp85 -94.84 130.32 41.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.288 -0.883 . . . . 0.0 109.15 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 136.48 -124.4 3.17 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 0.6 OUTLIER 178.36 -52.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.245 -1.15 . . . . 0.0 109.222 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.41 -50.21 64.18 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.232 -0.917 . . . . 0.0 109.071 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.71 ' HD3' HD22 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -56.32 -44.62 80.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -0.918 . . . . 0.0 109.047 179.575 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.605 ' CE1' HD12 ' A' ' 330' ' ' LEU . 74.7 t80 -57.45 -36.94 72.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 108.962 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 9.0 mt-10 -62.6 -42.2 99.43 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 mtm -58.45 -51.84 68.16 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.564 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.3 m-85 -61.67 -25.31 67.31 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.389 -0.819 . . . . 0.0 109.07 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -71.12 -28.34 64.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.249 -0.907 . . . . 0.0 109.038 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.99 -55.51 5.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.362 -0.836 . . . . 0.0 109.259 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.561 HD11 ' HE1' ' D' ' 341' ' ' PHE . 1.1 mm? -55.21 -44.35 75.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.144 -0.972 . . . . 0.0 108.681 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.552 ' HB2' ' O ' ' B' ' 341' ' ' PHE . 0.2 OUTLIER -64.29 -28.86 70.01 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.791 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.13 -45.54 66.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 0.0 109.575 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.698 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -64.78 -47.25 78.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.0 109.267 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.752 HD22 ' HD3' ' A' ' 337' ' ' ARG . 20.9 mt -54.96 -55.9 25.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 108.783 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -56.86 -27.09 59.92 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.935 ' CD1' HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.35 -38.48 84.89 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.52 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.544 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 15.8 ttpp -56.42 -39.85 73.74 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -28.41 66.38 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.47 -0.768 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.333 -0.854 . . . . 0.0 109.633 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.522 ' CZ ' ' CD ' ' D' ' 333' ' ' ARG . 13.7 m-85 -111.2 109.12 19.01 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.2 -0.937 . . . . 0.0 109.519 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.596 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 33.5 m-85 -96.57 174.29 6.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 109.412 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.96 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -130.86 136.43 48.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.187 -0.946 . . . . 0.0 109.711 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.699 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -119.2 89.42 3.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.284 -0.885 . . . . 0.0 108.807 179.656 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.542 ' HG3' HG23 ' D' ' 329' ' ' THR . 3.1 mt-30 -82.27 112.22 19.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.205 -0.935 . . . . 0.0 109.714 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.48 136.85 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.515 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.555 ' CD ' ' CZ ' ' D' ' 327' ' ' TYR . 1.3 ttp85 -95.16 130.14 41.99 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.307 -0.871 . . . . 0.0 109.443 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 136.36 -124.1 3.1 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 0.7 OUTLIER 178.51 -52.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -1.122 . . . . 0.0 109.307 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.35 -50.56 63.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.165 -0.959 . . . . 0.0 109.005 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.715 ' HD3' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -56.21 -43.7 78.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -0.912 . . . . 0.0 108.943 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.679 ' CE1' HD12 ' D' ' 330' ' ' LEU . 75.8 t80 -57.92 -37.68 74.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.423 -0.798 . . . . 0.0 109.054 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 9.2 mt-10 -61.87 -41.88 98.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.399 -0.813 . . . . 0.0 108.88 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 mtm -58.62 -51.63 69.09 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.593 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.3 m-85 -61.98 -24.49 67.05 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.485 -0.759 . . . . 0.0 109.199 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 mmt-85 -71.78 -28.18 63.45 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.338 -0.851 . . . . 0.0 108.812 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -78.68 -55.39 5.22 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.425 -0.797 . . . . 0.0 109.236 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.595 HD11 ' HE1' ' A' ' 341' ' ' PHE . 1.0 OUTLIER -55.09 -44.06 74.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.115 -0.99 . . . . 0.0 108.622 179.423 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' C' ' 341' ' ' PHE . 8.9 t-20 -65.47 -27.85 68.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.479 -0.763 . . . . 0.0 109.449 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 28.1 tt0 -70.75 -45.26 65.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 0.0 109.447 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.715 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -65.22 -45.83 83.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.297 -0.877 . . . . 0.0 109.194 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.694 HD22 ' HD3' ' D' ' 337' ' ' ARG . 21.5 mt -56.28 -55.84 28.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.935 . . . . 0.0 108.759 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.6 -27.26 57.67 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.935 HD11 ' CD1' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -67.29 -38.44 85.05 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.521 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.543 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 15.7 ttpp -56.2 -40.12 73.52 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -28.28 66.43 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.593 -0.692 . . . . 0.0 109.488 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 0.0 109.578 -179.82 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.285 0.564 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.555 ' CZ ' ' CD ' ' C' ' 333' ' ' ARG . 13.6 m-85 -111.38 109.62 19.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.219 -0.926 . . . . 0.0 109.485 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.606 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 33.6 m-85 -97.17 174.0 6.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.156 -0.965 . . . . 0.0 109.354 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.96 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -130.56 136.41 48.89 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.71 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.679 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -119.13 89.49 3.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.31 -0.869 . . . . 0.0 108.897 179.551 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.534 ' HG3' HG23 ' C' ' 329' ' ' THR . 3.0 mt-30 -82.18 112.12 18.92 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.235 -0.916 . . . . 0.0 109.76 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.21 136.86 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.182 -0.949 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.522 ' CD ' ' CZ ' ' C' ' 327' ' ' TYR . 1.2 ttp85 -95.23 130.37 42.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.258 -0.901 . . . . 0.0 109.42 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 136.17 -124.24 3.17 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 0.7 OUTLIER 178.54 -52.15 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -1.124 . . . . 0.0 109.251 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.61 -50.62 62.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 108.939 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.694 ' HD3' HD22 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -56.03 -43.89 78.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.225 -0.922 . . . . 0.0 108.858 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.699 ' CE1' HD12 ' C' ' 330' ' ' LEU . 75.5 t80 -57.72 -37.84 74.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.293 -0.879 . . . . 0.0 109.056 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 9.1 mt-10 -61.78 -42.04 98.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 0.0 108.802 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 mtm -58.43 -51.65 68.95 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.561 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.3 m-85 -61.99 -24.41 67.01 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.324 -0.86 . . . . 0.0 109.105 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.1 mmt-85 -71.79 -28.35 63.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.331 -0.855 . . . . 0.0 108.904 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -78.27 -55.69 5.05 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.331 -0.855 . . . . 0.0 109.224 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.564 HD11 ' HE1' ' B' ' 341' ' ' PHE . 0.9 OUTLIER -55.22 -43.77 74.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.212 -0.93 . . . . 0.0 108.723 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' D' ' 341' ' ' PHE . 8.6 t-20 -65.49 -27.8 68.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.456 -0.777 . . . . 0.0 109.418 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 27.4 tt0 -70.42 -45.41 65.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 109.39 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.694 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -64.68 -47.61 77.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 109.203 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.715 HD22 ' HD3' ' C' ' 337' ' ' ARG . 20.8 mt -54.92 -55.78 26.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.197 -0.939 . . . . 0.0 108.841 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -56.76 -27.36 59.37 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.952 HD11 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -67.18 -38.33 85.21 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.477 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.531 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 15.9 ttpp -56.36 -39.94 73.71 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -28.16 66.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.571 -0.705 . . . . 0.0 109.457 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 109.657 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.537 ' CE1' ' HD2' ' B' ' 333' ' ' ARG . 2.6 m-85 -104.17 127.71 51.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.612 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 37.4 m-85 -123.94 174.04 7.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -0.881 . . . . 0.0 109.194 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.105 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -134.85 132.02 38.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.0 109.901 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.825 HD12 ' HE1' ' B' ' 338' ' ' PHE . 0.2 OUTLIER -111.83 96.72 6.23 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.685 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 8.7 mt-30 -87.7 110.02 20.13 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.125 -0.985 . . . . 0.0 108.81 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.15 145.23 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.421 -0.799 . . . . 0.0 109.658 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.5 ' HD2' ' CE1' ' B' ' 327' ' ' TYR . 19.8 ttt-85 -111.59 89.11 2.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.366 -0.834 . . . . 0.0 109.225 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.22 -120.8 0.77 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -179.16 -45.21 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.25 -1.147 . . . . 0.0 109.324 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -73.96 -57.52 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.272 -0.893 . . . . 0.0 109.199 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.485 ' HD2' ' HB3' ' B' ' 348' ' ' LEU . 38.5 mtm-85 -51.26 -45.6 62.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.137 -0.977 . . . . 0.0 108.944 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.749 ' HE1' HD12 ' B' ' 330' ' ' LEU . 11.4 t80 -54.23 -38.67 65.97 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.319 -0.863 . . . . 0.0 109.322 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.96 -42.93 84.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.12 -0.987 . . . . 0.0 109.466 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.484 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 23.2 mtp -53.54 -55.6 24.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.867 . . . . 0.0 109.441 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -57.2 -32.85 66.89 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.854 0.835 . . . . 0.0 109.266 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -58.58 -42.35 87.83 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.39 0.614 . . . . 0.0 109.397 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.81 -47.78 70.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.289 -0.882 . . . . 0.0 109.649 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.715 HD12 HD12 ' D' ' 344' ' ' LEU . 0.7 OUTLIER -55.32 -44.91 76.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.393 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.451 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.3 m-20 -66.54 -25.27 66.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.319 -0.863 . . . . 0.0 109.894 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -57.34 6.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.311 -0.868 . . . . 0.0 109.983 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.523 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -65.85 -48.32 72.0 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.321 -0.862 . . . . 0.0 110.228 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 344' ' ' LEU . 31.6 mt -50.89 -49.8 58.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 109.209 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.39 -31.88 71.8 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.235 -0.915 . . . . 0.0 108.946 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.957 ' O ' HD12 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -73.91 -21.63 59.99 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 120.879 -1.138 . . . . 0.0 108.673 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.574 ' HA ' HD21 ' D' ' 350' ' ' LEU . 7.0 ttpt -66.39 -43.43 85.85 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -30.91 70.12 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.93 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.883 179.843 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.338 0.589 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.5 ' CE1' ' HD2' ' A' ' 333' ' ' ARG . 2.7 m-85 -103.68 127.61 51.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.236 -0.915 . . . . 0.0 109.509 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 37.5 m-85 -125.15 169.91 11.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.31 -0.869 . . . . 0.0 109.388 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.105 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -129.39 139.63 51.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.299 -0.876 . . . . 0.0 109.755 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.749 HD12 ' HE1' ' A' ' 338' ' ' PHE . 0.2 OUTLIER -119.14 87.89 2.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.505 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 7.9 mt-30 -79.37 110.37 14.6 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.176 -0.952 . . . . 0.0 109.752 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.05 145.55 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -0.841 . . . . 0.0 109.176 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.537 ' HD2' ' CE1' ' A' ' 327' ' ' TYR . 19.6 ttt-85 -111.96 88.43 2.8 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.222 -0.924 . . . . 0.0 109.263 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.03 -120.6 0.75 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -179.02 -44.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.252 -1.146 . . . . 0.0 109.349 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -73.81 -57.53 3.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.91 . . . . 0.0 109.156 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.436 ' HD2' ' HB3' ' A' ' 348' ' ' LEU . 38.6 mtm-85 -51.26 -47.07 62.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.158 -0.964 . . . . 0.0 109.081 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.825 ' HE1' HD12 ' A' ' 330' ' ' LEU . 11.4 t80 -53.05 -38.74 62.7 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.377 -0.827 . . . . 0.0 109.254 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.95 -44.02 81.68 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.151 -0.968 . . . . 0.0 109.205 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.465 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 26.2 mtp -53.45 -56.23 18.67 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.284 -0.885 . . . . 0.0 108.901 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -56.97 -29.61 63.37 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.47 -0.769 . . . . 0.0 109.035 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -61.7 -42.07 98.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.447 -0.783 . . . . 0.0 109.601 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.32 -47.84 72.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.28 -0.887 . . . . 0.0 109.823 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.674 HD12 HD12 ' C' ' 344' ' ' LEU . 0.9 OUTLIER -55.79 -44.53 77.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.177 -0.952 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.489 HD21 ' HA ' ' B' ' 345' ' ' ASN . 0.0 OUTLIER -65.55 -26.61 67.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 109.764 -179.647 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -60.86 2.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.237 -0.914 . . . . 0.0 109.794 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.563 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -62.25 -49.65 74.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.23 -0.919 . . . . 0.0 109.955 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.485 ' HB3' ' HD2' ' A' ' 337' ' ' ARG . 33.4 mt -50.04 -49.83 49.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.155 -0.965 . . . . 0.0 109.684 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -61.59 -34.34 75.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.18 -0.95 . . . . 0.0 109.159 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.968 HD12 ' O ' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -70.64 -22.54 62.5 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.256 -0.903 . . . . 0.0 108.913 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.639 ' HA ' HD21 ' C' ' 350' ' ' LEU . 7.4 ttpt -66.53 -41.88 88.08 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 0.0 108.907 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -27.05 64.07 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.372 -0.83 . . . . 0.0 108.998 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 0.0 109.383 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.301 0.572 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.531 ' CE1' ' HD2' ' D' ' 333' ' ' ARG . 2.7 m-85 -104.12 127.56 51.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.26 -0.9 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 38.0 m-85 -123.91 173.33 8.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 0.0 109.353 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 329' ' ' THR . . . . . 1.036 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -133.3 134.95 44.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.0 109.775 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.832 HD12 ' HE1' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -115.3 89.42 3.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 108.832 179.56 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 8.0 mt-30 -80.3 110.94 16.21 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.118 -0.989 . . . . 0.0 109.754 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.93 145.97 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.881 . . . . 0.0 109.387 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.522 ' HD2' ' CE1' ' D' ' 327' ' ' TYR . 18.9 ttt-85 -112.17 88.6 2.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.178 -0.951 . . . . 0.0 109.467 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.54 -120.53 0.75 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -178.9 -45.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.268 -1.136 . . . . 0.0 109.268 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -73.18 -58.09 3.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.297 -0.877 . . . . 0.0 109.188 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.517 ' HD2' ' HB3' ' D' ' 348' ' ' LEU . 40.0 mtm-85 -50.82 -46.43 59.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.271 -0.893 . . . . 0.0 109.077 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.843 ' HE1' HD12 ' D' ' 330' ' ' LEU . 11.1 t80 -53.48 -39.24 64.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.501 -0.749 . . . . 0.0 109.39 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.54 -43.82 84.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.259 -0.901 . . . . 0.0 109.212 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.484 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 26.6 mtp -53.55 -55.58 24.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -0.883 . . . . 0.0 108.798 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' D' ' 344' ' ' LEU . 17.2 m-85 -57.61 -29.25 64.35 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.432 -0.792 . . . . 0.0 109.14 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -62.07 -41.99 98.73 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.497 -0.752 . . . . 0.0 109.676 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.46 -48.01 71.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.244 -0.91 . . . . 0.0 109.621 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.674 HD12 HD12 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -55.59 -44.23 76.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.247 -0.908 . . . . 0.0 109.376 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.478 HD21 ' HA ' ' C' ' 345' ' ' ASN . 0.0 OUTLIER -66.77 -25.85 66.68 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.196 -0.94 . . . . 0.0 109.83 -179.644 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.81 -60.32 2.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 0.0 109.928 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -62.54 -48.98 77.11 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.28 -0.887 . . . . 0.0 109.92 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.525 ' HB3' ' HD2' ' D' ' 337' ' ' ARG . 32.7 mt -51.02 -49.87 59.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.077 -1.015 . . . . 0.0 109.644 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.25 -34.05 74.53 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.258 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.964 ' O ' HD12 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -70.86 -22.51 62.29 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.296 -0.877 . . . . 0.0 108.926 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.657 ' HA ' HD21 ' B' ' 350' ' ' LEU . 7.2 ttpt -66.56 -41.44 88.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.337 -0.852 . . . . 0.0 109.028 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -26.91 63.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.347 -0.846 . . . . 0.0 109.097 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.332 -0.855 . . . . 0.0 109.438 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.315 0.579 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.522 ' CE1' ' HD2' ' C' ' 333' ' ' ARG . 2.7 m-85 -103.88 127.49 51.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 0.0 109.57 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 39.6 m-85 -123.96 173.23 8.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 109.288 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 329' ' ' THR . . . . . 1.036 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -133.12 134.71 44.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.142 -0.974 . . . . 0.0 109.929 -179.828 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.843 HD12 ' HE1' ' C' ' 338' ' ' PHE . 0.2 OUTLIER -115.14 89.31 3.07 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 8.1 mt-30 -80.34 110.8 16.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.167 -0.958 . . . . 0.0 109.684 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.61 145.78 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 0.0 109.431 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.531 ' HD2' ' CE1' ' C' ' 327' ' ' TYR . 19.9 ttt-85 -111.9 88.8 2.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.212 -0.93 . . . . 0.0 109.626 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.12 -120.79 0.77 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -178.41 -45.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -1.139 . . . . 0.0 109.345 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.23 -57.93 3.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.914 . . . . 0.0 109.221 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.525 ' HD2' ' HB3' ' C' ' 348' ' ' LEU . 39.9 mtm-85 -51.03 -46.12 61.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.178 -0.951 . . . . 0.0 109.109 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.832 ' HE1' HD12 ' C' ' 330' ' ' LEU . 11.3 t80 -53.84 -38.87 65.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.369 -0.832 . . . . 0.0 109.235 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.81 -43.82 82.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.259 -0.9 . . . . 0.0 109.156 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.465 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 27.2 mtp -53.56 -56.07 20.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.184 -0.947 . . . . 0.0 108.853 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' C' ' 344' ' ' LEU . 17.3 m-85 -57.1 -29.12 63.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.505 -0.747 . . . . 0.0 109.127 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -62.29 -42.09 99.05 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.432 -0.793 . . . . 0.0 109.666 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.416 ' HB3' ' HE1' ' B' ' 340' ' ' MET . 2.6 tp10 -66.29 -47.98 71.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.0 109.783 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -55.41 -44.77 76.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 109.386 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.425 HD21 ' HA ' ' D' ' 345' ' ' ASN . 0.0 OUTLIER -66.12 -25.81 67.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.251 -0.905 . . . . 0.0 109.907 -179.527 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -60.52 2.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.872 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.571 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -62.23 -49.81 74.25 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.926 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.517 ' HB3' ' HD2' ' C' ' 337' ' ' ARG . 33.8 mt -50.21 -49.92 51.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.161 -0.962 . . . . 0.0 109.645 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.35 -34.32 75.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.239 -0.913 . . . . 0.0 109.229 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.949 ' O ' HD12 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -70.48 -22.76 62.63 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.381 -0.825 . . . . 0.0 108.819 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.664 ' HA ' HD21 ' A' ' 350' ' ' LEU . 7.4 ttpt -66.44 -41.35 89.26 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.365 -0.835 . . . . 0.0 109.069 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -26.69 63.28 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.354 -0.841 . . . . 0.0 108.977 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 0.0 109.611 179.91 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.407 0.622 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.467 ' CZ ' ' HD3' ' B' ' 333' ' ' ARG . 29.9 m-85 -99.61 115.01 28.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.37 -0.831 . . . . 0.0 109.672 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.499 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 32.9 m-85 -111.83 132.48 54.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.212 -0.93 . . . . 0.0 109.099 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 329' ' ' THR . . . . . 1.113 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -99.88 113.63 26.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 110.046 -179.415 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 0.5 OUTLIER -95.93 92.49 6.52 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.434 ' CG ' HG23 ' B' ' 329' ' ' THR . 32.0 mt-30 -87.37 111.4 21.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.937 -1.102 . . . . 0.0 108.771 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 6.4 mt -111.97 120.25 61.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.358 -0.839 . . . . 0.0 109.925 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.447 ' HD3' ' CZ ' ' B' ' 327' ' ' TYR . 9.7 ttm180 -79.87 93.87 5.73 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 178.19 -131.11 1.69 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.314 -1.515 . . . . 0.0 109.314 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 1.7 ttt180 179.23 -61.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -1.15 . . . . 0.0 109.556 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.61 -39.98 93.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.693 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.629 ' CD ' HD13 ' B' ' 348' ' ' LEU . 6.7 mtm105 -72.34 -24.87 61.36 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.946 -1.096 . . . . 0.0 108.666 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' B' ' 330' ' ' LEU . 40.5 t80 -67.6 -32.0 72.43 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.316 -0.865 . . . . 0.0 108.733 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 23.8 mt-10 -72.43 -48.5 40.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.292 -0.88 . . . . 0.0 109.233 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.495 ' O ' HD22 ' A' ' 344' ' ' LEU . 2.9 mtm -48.77 -54.98 12.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.654 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' B' ' 344' ' ' LEU . 8.6 m-85 -63.33 -35.5 80.6 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 121.68 0.752 . . . . 0.0 109.455 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -32.27 69.47 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -74.61 -52.01 12.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 109.56 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.8 mm? -55.12 -37.69 67.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.929 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.462 ' OD1' ' CE2' ' B' ' 341' ' ' PHE . 0.4 OUTLIER -75.72 -25.05 56.28 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.356 -0.84 . . . . 0.0 109.204 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.29 -44.38 71.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.332 -0.855 . . . . 0.0 109.711 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 1.008 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -68.6 -49.19 61.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.19 -0.944 . . . . 0.0 109.627 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' D' ' 347' ' ' ALA . 57.1 mt -53.53 -46.67 70.23 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.33 -31.3 71.9 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.019 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -67.7 -27.13 66.56 Favored 'General case' 0 C--N 1.311 -1.08 0 O-C-N 121.042 -1.036 . . . . 0.0 108.465 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.743 ' HD2' HD22 ' D' ' 350' ' ' LEU . 4.2 tptt -65.76 -42.5 90.82 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.95 -40.66 89.78 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.641 -0.824 . . . . 0.0 108.897 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.751 0 O-C-N 121.293 -0.879 . . . . 0.0 109.634 179.867 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.339 0.59 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.447 ' CZ ' ' HD3' ' A' ' 333' ' ' ARG . 32.4 m-85 -98.81 115.87 29.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.495 -0.753 . . . . 0.0 109.638 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 338' ' ' PHE . 30.9 m-85 -112.89 131.52 55.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.405 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 329' ' ' THR . . . . . 1.113 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -98.29 121.23 39.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.168 -0.958 . . . . 0.0 109.469 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -103.98 77.44 1.44 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.531 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.445 ' CG ' HG23 ' A' ' 329' ' ' THR . 32.1 mt-30 -73.99 112.41 10.1 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.368 -0.833 . . . . 0.0 109.978 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.51 122.93 67.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.3 -0.875 . . . . 0.0 109.004 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 327' ' ' TYR . 10.5 ttm180 -83.24 89.79 7.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.883 . . . . 0.0 108.926 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . -178.35 -130.08 1.37 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 1.8 ttt180 179.49 -60.89 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.202 -1.175 . . . . 0.0 109.564 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.59 -40.36 91.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 109.639 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.586 ' CD ' HD13 ' A' ' 348' ' ' LEU . 7.6 mtm105 -72.29 -25.75 61.71 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.074 -1.016 . . . . 0.0 109.171 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 40.3 t80 -67.14 -31.55 72.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.333 -0.854 . . . . 0.0 108.752 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 22.3 mt-10 -72.91 -49.54 29.02 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.418 -0.801 . . . . 0.0 109.034 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.492 ' O ' HD22 ' B' ' 344' ' ' LEU . 3.5 mtm -48.84 -56.02 9.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.309 -0.869 . . . . 0.0 109.032 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 344' ' ' LEU . 11.8 m-85 -62.95 -32.27 73.55 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.503 -0.748 . . . . 0.0 109.396 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -62.04 -31.21 71.59 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.375 -179.615 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.74 -52.64 10.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.282 -0.886 . . . . 0.0 109.763 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.796 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.5 mm? -54.7 -38.53 67.15 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.187 -0.945 . . . . 0.0 109.168 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.425 ' CG ' ' CE2' ' A' ' 341' ' ' PHE . 0.5 OUTLIER -73.92 -26.01 60.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.398 -0.814 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.29 -44.88 70.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.349 -0.845 . . . . 0.0 109.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.969 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -67.17 -51.44 53.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.257 -0.902 . . . . 0.0 109.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.911 HD23 ' HB2' ' C' ' 347' ' ' ALA . 57.8 mt -52.23 -45.99 65.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.184 -0.948 . . . . 0.0 108.796 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.18 -32.4 73.79 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 1.016 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -65.54 -28.98 69.56 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.772 ' HD2' HD22 ' C' ' 350' ' ' LEU . 4.4 tptt -64.21 -42.85 96.43 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.68 -40.35 87.55 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.459 -0.776 . . . . 0.0 109.042 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.296 -0.878 . . . . 0.0 109.313 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.337 0.589 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.504 ' CZ ' ' HD3' ' D' ' 333' ' ' ARG . 30.7 m-85 -100.08 115.23 29.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.558 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.486 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 31.5 m-85 -111.81 132.75 54.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.199 -0.938 . . . . 0.0 109.271 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 329' ' ' THR . . . . . 1.046 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -99.94 116.36 31.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 110.004 -179.5 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.549 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -99.18 80.75 2.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.266 -0.896 . . . . 0.0 108.814 179.318 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.442 ' CG ' HG23 ' D' ' 329' ' ' THR . 32.8 mt-30 -76.55 112.93 13.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.0 109.837 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.65 121.06 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 109.393 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.487 ' HD3' ' CZ ' ' D' ' 327' ' ' TYR . 10.0 ttm180 -81.02 91.07 6.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.894 . . . . 0.0 109.312 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . -179.36 -130.52 1.47 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 1.8 ttt180 179.51 -61.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -1.098 . . . . 0.0 109.482 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.47 -40.28 90.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.251 -0.905 . . . . 0.0 109.652 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.55 ' CD ' HD13 ' D' ' 348' ' ' LEU . 7.5 mtm105 -72.47 -25.28 61.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.109 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 42.1 t80 -67.52 -31.9 72.32 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.227 -0.921 . . . . 0.0 108.79 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 22.3 mt-10 -72.35 -49.5 33.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.818 . . . . 0.0 108.998 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.459 ' O ' HD22 ' C' ' 344' ' ' LEU . 3.4 mtm -48.82 -55.18 12.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.327 -0.858 . . . . 0.0 108.957 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' D' ' 344' ' ' LEU . 11.7 m-85 -63.5 -31.62 72.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.431 -0.793 . . . . 0.0 109.516 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.418 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -62.94 -30.38 71.52 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.264 -0.898 . . . . 0.0 109.46 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -75.11 -52.69 10.39 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.132 -0.98 . . . . 0.0 109.532 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.796 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.6 mm? -55.07 -38.76 68.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.475 ' CG ' ' CE2' ' D' ' 341' ' ' PHE . 0.5 OUTLIER -74.13 -25.27 59.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.834 . . . . 0.0 109.226 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.27 -44.44 68.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.358 -0.839 . . . . 0.0 109.468 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.946 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -67.6 -49.54 62.6 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.241 -0.912 . . . . 0.0 109.29 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.838 HD23 ' HB2' ' B' ' 347' ' ' ALA . 57.7 mt -54.34 -45.54 72.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.057 -1.027 . . . . 0.0 108.739 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -63.27 -31.95 73.23 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 1.016 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -66.04 -29.47 69.83 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.367 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.83 ' HD2' HD22 ' B' ' 350' ' ' LEU . 4.3 tptt -63.64 -42.3 98.15 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.31 -40.2 89.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.336 -0.852 . . . . 0.0 109.207 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.361 -0.837 . . . . 0.0 109.309 179.882 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.342 0.591 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' C' ' 333' ' ' ARG . 31.1 m-85 -100.26 115.08 29.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.626 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.507 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 31.9 m-85 -111.64 132.85 54.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.158 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 329' ' ' THR . . . . . 1.046 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -100.11 116.24 31.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.307 -0.871 . . . . 0.0 109.943 -179.494 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.558 ' HG ' ' CZ ' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -99.05 80.66 2.49 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.301 -0.874 . . . . 0.0 108.799 179.324 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.456 ' CG ' HG23 ' C' ' 329' ' ' THR . 32.8 mt-30 -76.4 112.86 13.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.883 . . . . 0.0 109.826 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 5.8 mt -113.38 120.91 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.344 -0.847 . . . . 0.0 109.469 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.504 ' HD3' ' CZ ' ' C' ' 327' ' ' TYR . 10.1 ttm180 -80.95 91.08 5.98 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.9 . . . . 0.0 109.432 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . -179.5 -130.68 1.5 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 1.8 ttt180 179.89 -60.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.278 -1.13 . . . . 0.0 109.491 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.56 -40.2 90.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.623 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.538 ' CD ' HD13 ' C' ' 348' ' ' LEU . 7.2 mtm105 -72.54 -25.42 61.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.087 -1.008 . . . . 0.0 109.071 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.549 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 41.9 t80 -67.34 -31.98 72.62 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.295 -0.878 . . . . 0.0 108.778 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 22.5 mt-10 -72.28 -49.54 33.97 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.301 -0.875 . . . . 0.0 108.9 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.467 ' HA ' ' SD ' ' B' ' 340' ' ' MET . 3.5 mtm -48.66 -55.53 11.03 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.234 -0.916 . . . . 0.0 109.025 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 11.5 m-85 -63.26 -31.63 72.83 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.485 -0.759 . . . . 0.0 109.555 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.4 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -62.81 -30.55 71.57 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.295 -0.878 . . . . 0.0 109.562 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.405 ' HB3' ' HE1' ' B' ' 340' ' ' MET . 16.9 tp10 -75.26 -52.16 11.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.197 -0.939 . . . . 0.0 109.615 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.5 mm? -55.28 -38.71 68.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.149 -0.969 . . . . 0.0 109.215 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.501 ' CG ' ' CE2' ' C' ' 341' ' ' PHE . 0.5 OUTLIER -74.34 -25.09 59.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 0.0 109.251 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.08 -45.02 67.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.323 -0.861 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.977 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -66.84 -51.47 55.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.166 -0.959 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 347' ' ' ALA . 59.9 mt -52.43 -46.08 66.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.225 -0.922 . . . . 0.0 108.807 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.95 -32.52 73.84 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 1.019 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -65.37 -29.15 69.84 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.362 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.871 ' HD2' HD22 ' A' ' 350' ' ' LEU . 4.2 tptt -64.29 -42.59 96.31 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.92 -39.68 86.29 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.325 -0.86 . . . . 0.0 109.079 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.355 -0.841 . . . . 0.0 109.325 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -130.41 175.88 8.6 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -1.139 . . . . 0.0 109.528 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 10.7 m-85 -112.45 130.06 56.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.258 -0.901 . . . . 0.0 109.305 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.592 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 96.4 m-85 -123.37 154.04 39.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 0.0 109.556 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.035 HG22 HG22 ' B' ' 329' ' ' THR . 0.3 OUTLIER -108.02 134.55 50.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.354 -0.841 . . . . 0.0 109.5 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.582 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -116.32 95.13 4.93 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.2 OUTLIER -89.92 112.57 23.99 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.212 -0.93 . . . . 0.0 109.009 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.623 HG12 ' ND2' ' B' ' 345' ' ' ASN . 3.2 mt -113.04 149.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.343 -0.848 . . . . 0.0 109.982 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -93.71 148.8 21.78 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.64 -147.92 18.91 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 18.9 ttt180 -158.85 -49.27 0.06 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -1.132 . . . . 0.0 109.368 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.29 -48.62 49.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 0.0 109.431 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.976 ' HD2' HD13 ' B' ' 348' ' ' LEU . 23.7 mtm-85 -53.62 -43.36 68.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.176 -0.952 . . . . 0.0 109.234 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.581 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 79.2 t80 -57.0 -35.55 69.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.228 -0.92 . . . . 0.0 109.106 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 21.9 mt-10 -66.08 -39.31 89.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 108.984 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.534 ' O ' HD22 ' A' ' 344' ' ' LEU . 9.4 mtm -54.78 -57.49 11.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 0.0 109.398 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' B' ' 344' ' ' LEU . 9.7 m-85 -58.26 -36.03 72.65 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.672 0.749 . . . . 0.0 109.521 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -35.71 76.76 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.0 -47.77 64.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.0 109.104 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.858 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.9 mm? -58.05 -35.15 70.91 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.259 -0.901 . . . . 0.0 108.775 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.619 ' ND2' HG12 ' B' ' 332' ' ' ILE . 0.9 OUTLIER -81.05 -19.64 43.37 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.329 -0.857 . . . . 0.0 109.264 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.4 -39.12 71.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.415 -0.803 . . . . 0.0 109.05 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.556 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -74.98 -45.84 39.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.339 -0.851 . . . . 0.0 108.922 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.966 HD13 ' HD2' ' B' ' 337' ' ' ARG . 69.3 mt -53.44 -48.14 69.06 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -32.14 71.29 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.13 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.63 -30.65 71.38 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.453 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 29.7 tttm -61.52 -45.89 92.29 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -22.14 66.43 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.03 30.43 4.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.555 -0.716 . . . . 0.0 109.633 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.474 ' HG3' ' HA ' ' A' ' 351' ' ' LYS . 0.5 OUTLIER -84.74 60.94 6.45 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.344 -0.848 . . . . 0.0 109.601 -179.567 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.396 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -130.58 175.94 8.58 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.205 -1.173 . . . . 0.0 109.414 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.61 130.18 56.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.581 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 95.8 m-85 -123.64 153.99 39.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.189 -0.944 . . . . 0.0 109.753 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.035 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -106.84 140.1 40.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.186 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.9 OUTLIER -121.38 86.59 2.6 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.294 -0.879 . . . . 0.0 108.978 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -82.3 113.23 19.96 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.277 -0.89 . . . . 0.0 109.68 -179.587 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.619 HG12 ' ND2' ' A' ' 345' ' ' ASN . 3.2 mt -114.21 148.81 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.252 -0.905 . . . . 0.0 109.699 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.418 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 2.1 ttp85 -92.95 149.54 21.17 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.293 -0.879 . . . . 0.0 109.056 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.28 -147.94 18.78 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 18.8 ttt180 -158.35 -48.7 0.06 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.262 -1.14 . . . . 0.0 109.493 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -71.28 -48.21 52.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.277 -0.89 . . . . 0.0 109.503 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.966 ' HD2' HD13 ' A' ' 348' ' ' LEU . 21.8 mtm-85 -53.91 -43.58 69.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.181 -0.949 . . . . 0.0 109.406 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 79.3 t80 -57.03 -34.92 68.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.912 . . . . 0.0 109.121 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 18.7 mt-10 -66.59 -40.03 88.71 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.258 -0.901 . . . . 0.0 109.003 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.534 ' O ' HD22 ' B' ' 344' ' ' LEU . 11.9 mtm -55.39 -58.18 8.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 108.833 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.513 ' CE1' ' HB2' ' A' ' 344' ' ' LEU . 12.3 m-85 -57.42 -34.26 68.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.47 -0.768 . . . . 0.0 109.266 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -35.0 77.94 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.389 -0.82 . . . . 0.0 109.344 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.409 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 1.1 tp10 -69.02 -48.2 63.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 109.144 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.861 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.9 mm? -58.69 -33.06 69.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.188 -0.945 . . . . 0.0 108.703 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.623 ' ND2' HG12 ' A' ' 332' ' ' ILE . 1.0 OUTLIER -82.36 -20.5 37.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.447 -0.783 . . . . 0.0 108.994 179.633 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.85 -39.14 73.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.38 -0.825 . . . . 0.0 108.921 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.576 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -74.09 -47.52 35.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 108.849 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.976 HD13 ' HD2' ' A' ' 337' ' ' ARG . 66.1 mt -52.57 -47.56 66.76 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -34.04 73.9 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.38 -31.0 72.04 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.372 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 30.0 tttm -61.73 -44.87 96.09 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -21.07 65.81 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -103.11 30.8 4.61 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.421 -0.8 . . . . 0.0 109.346 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.44 ' CD ' HD13 ' C' ' 350' ' ' LEU . 0.3 OUTLIER -84.95 60.92 6.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.306 -0.871 . . . . 0.0 109.496 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.339 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -130.78 175.74 8.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.252 -1.146 . . . . 0.0 109.442 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 10.6 m-85 -112.51 130.3 56.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.598 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 96.7 m-85 -123.34 155.0 38.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.189 -0.945 . . . . 0.0 109.68 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.948 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -108.39 136.31 48.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.892 . . . . 0.0 109.572 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.586 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.9 OUTLIER -117.83 88.73 2.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.917 . . . . 0.0 109.301 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -84.17 112.91 20.68 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.276 -0.89 . . . . 0.0 109.577 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.625 HG12 ' ND2' ' D' ' 345' ' ' ASN . 3.2 mt -113.88 149.44 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.91 . . . . 0.0 109.768 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.5 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 2.2 ttp85 -93.47 149.36 21.29 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.293 -0.88 . . . . 0.0 109.193 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.28 -147.4 18.77 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 18.9 ttt180 -158.76 -48.67 0.06 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -1.198 . . . . 0.0 109.512 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -71.24 -48.47 50.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.226 -0.921 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.956 ' HD2' HD13 ' D' ' 348' ' ' LEU . 22.0 mtm-85 -53.89 -43.05 69.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 109.426 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.613 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 79.8 t80 -57.41 -35.27 69.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.249 -0.907 . . . . 0.0 109.121 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 18.9 mt-10 -66.15 -39.78 90.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.32 -0.863 . . . . 0.0 108.992 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.522 ' O ' HD22 ' C' ' 344' ' ' LEU . 11.6 mtm -55.44 -57.63 11.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.235 -0.916 . . . . 0.0 108.764 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.529 ' CE1' ' HB2' ' D' ' 344' ' ' LEU . 12.3 m-85 -57.81 -33.76 68.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.499 -0.75 . . . . 0.0 109.426 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.53 77.77 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.429 -0.795 . . . . 0.0 109.408 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.52 -48.19 61.32 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.22 -0.925 . . . . 0.0 109.014 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.8 mm? -58.61 -33.06 69.6 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 108.753 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.617 ' ND2' HG12 ' D' ' 332' ' ' ILE . 1.0 OUTLIER -82.77 -20.37 36.0 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 109.036 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -71.52 -38.59 71.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.387 -0.821 . . . . 0.0 108.884 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.574 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -74.66 -45.84 41.98 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.408 -0.807 . . . . 0.0 108.872 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.947 HD13 ' HD2' ' D' ' 337' ' ' ARG . 63.6 mt -54.45 -47.15 73.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.137 -0.977 . . . . 0.0 108.394 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.83 -34.48 74.61 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -62.73 -31.2 72.09 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.523 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 29.9 tttm -61.39 -44.74 96.64 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -20.36 65.51 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -103.84 30.89 4.8 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.502 -0.749 . . . . 0.0 109.259 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.537 ' CD ' HD13 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -84.94 60.71 6.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.302 -0.874 . . . . 0.0 109.447 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.396 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -130.97 176.01 8.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -1.17 . . . . 0.0 109.467 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.5 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 10.9 m-85 -112.71 130.13 56.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 109.451 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.613 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 96.8 m-85 -123.18 154.57 38.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 0.0 109.599 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.948 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -108.12 136.16 48.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.507 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.9 OUTLIER -117.7 88.76 2.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.866 . . . . 0.0 109.294 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -84.11 113.02 20.75 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.898 . . . . 0.0 109.524 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.617 HG12 ' ND2' ' C' ' 345' ' ' ASN . 3.2 mt -113.92 149.57 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.236 -0.915 . . . . 0.0 109.683 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 2.2 ttp85 -93.59 149.25 21.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.378 -0.826 . . . . 0.0 109.253 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.38 -147.13 18.78 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 18.6 ttt180 -158.66 -49.05 0.06 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.179 -1.189 . . . . 0.0 109.462 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -70.91 -48.73 52.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.257 -0.902 . . . . 0.0 109.442 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.947 ' HD2' HD13 ' C' ' 348' ' ' LEU . 21.9 mtm-85 -53.71 -43.17 68.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.394 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.598 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 79.7 t80 -57.32 -35.29 69.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -0.939 . . . . 0.0 109.105 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 18.8 mt-10 -65.96 -40.32 91.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.32 -0.863 . . . . 0.0 108.936 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.48 ' O ' HD22 ' D' ' 344' ' ' LEU . 11.4 mtm -55.02 -57.66 10.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 0.0 108.873 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 12.2 m-85 -57.78 -33.67 68.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.425 -0.797 . . . . 0.0 109.419 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -34.71 78.18 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.423 -0.798 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.435 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 1.1 tp10 -69.19 -48.19 62.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.184 -0.948 . . . . 0.0 109.01 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.858 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.8 mm? -58.7 -33.18 69.89 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.302 -0.874 . . . . 0.0 108.846 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.625 ' ND2' HG12 ' C' ' 332' ' ' ILE . 1.0 OUTLIER -82.59 -20.19 36.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.419 -0.801 . . . . 0.0 109.006 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -71.39 -38.84 71.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.445 -0.784 . . . . 0.0 108.96 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.58 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -74.21 -47.33 36.18 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.956 HD13 ' HD2' ' C' ' 337' ' ' ARG . 64.0 mt -52.94 -47.25 68.19 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -34.44 74.95 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.13 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -62.46 -31.83 72.61 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.245 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.524 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 30.1 tttm -61.07 -45.28 95.38 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -20.5 65.95 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -103.9 30.67 4.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.813 . . . . 0.0 109.282 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.602 ' CD ' HD13 ' A' ' 350' ' ' LEU . 0.3 OUTLIER -84.95 60.7 6.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.374 -0.828 . . . . 0.0 109.46 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.471 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.86 -164.85 2.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.372 -1.075 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -108.11 141.72 39.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.345 -0.847 . . . . 0.0 109.585 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 14.3 m-85 -139.47 148.25 42.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.348 -0.845 . . . . 0.0 109.131 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -109.41 136.98 47.95 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 109.958 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.595 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -118.91 96.13 5.12 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.45 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.791 ' HG2' HG23 ' B' ' 329' ' ' THR . 76.2 mt-30 -88.59 115.57 26.21 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.177 -0.952 . . . . 0.0 109.177 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mt -119.5 150.79 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.441 -0.787 . . . . 0.0 109.746 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -95.25 158.54 15.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.322 -0.861 . . . . 0.0 109.15 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 106.9 -127.12 8.71 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 19.8 ttt180 178.53 -49.13 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.273 -1.134 . . . . 0.0 109.268 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -55.82 8.69 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.281 -0.887 . . . . 0.0 109.458 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.589 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -51.7 -37.3 50.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.115 -0.99 . . . . 0.0 109.058 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.571 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 60.2 t80 -60.23 -47.1 87.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.256 -0.903 . . . . 0.0 109.377 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 14.5 mt-10 -62.8 -33.37 75.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.225 -0.922 . . . . 0.0 109.403 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 3.3 mtp -56.15 -55.42 33.24 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.962 0.887 . . . . 0.0 109.555 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.587 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 15.9 m-85 -59.55 -37.14 77.62 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.853 0.835 . . . . 0.0 108.915 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.515 ' HA ' ' ND2' ' A' ' 345' ' ' ASN . 4.1 ttt180 -50.48 -37.09 36.72 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 2.0 tp10 -72.92 -54.34 8.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.397 -0.814 . . . . 0.0 110.084 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' D' ' 344' ' ' LEU . 1.8 mm? -50.78 -60.39 3.11 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.897 -1.127 . . . . 0.0 109.289 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.515 ' ND2' ' HA ' ' A' ' 342' ' ' ARG . 0.8 OUTLIER -58.34 -23.48 56.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.049 -1.032 . . . . 0.0 109.381 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 343' ' ' GLU . 2.3 mt-10 -65.48 -43.88 88.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.171 -0.956 . . . . 0.0 109.7 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.685 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -72.87 -47.17 48.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.114 -0.991 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' D' ' 347' ' ' ALA . 84.4 mt -50.67 -45.87 58.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.145 -0.972 . . . . 0.0 108.563 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -62.94 -34.6 77.82 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.011 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -67.67 -22.4 65.3 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.354 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.542 ' CA ' HD21 ' D' ' 350' ' ' LEU . 3.6 ttpp -68.91 -42.86 76.29 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -38.98 93.17 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 120.049 -0.661 . . . . 0.0 109.433 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.67 -5.12 46.6 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.147 -0.971 . . . . 0.0 109.631 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.662 ' NE2' HD13 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -80.42 -85.38 0.09 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.41 -0.806 . . . . 0.0 109.581 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.536 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.84 -162.46 1.56 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.316 -1.108 . . . . 0.0 109.407 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.46 141.44 43.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.185 -0.947 . . . . 0.0 109.399 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 14.3 m-85 -139.65 147.59 41.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.923 . . . . 0.0 109.54 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -107.15 144.28 34.12 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.227 -0.921 . . . . 0.0 109.47 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -125.99 86.01 2.47 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.66 ' HG2' HG23 ' A' ' 329' ' ' THR . 78.7 mt-30 -79.91 116.49 20.08 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 110.146 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.22 152.03 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.317 -0.864 . . . . 0.0 109.253 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -96.74 158.6 15.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 0.0 109.168 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 106.65 -126.92 8.66 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 20.1 ttt180 178.71 -49.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -1.119 . . . . 0.0 109.315 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -55.16 11.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 0.0 109.492 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.602 ' HD3' HD13 ' A' ' 348' ' ' LEU . 0.5 OUTLIER -52.21 -38.65 58.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 109.286 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.595 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 63.8 t80 -58.71 -48.42 81.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.286 -0.884 . . . . 0.0 109.295 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 12.0 mt-10 -62.28 -33.13 74.04 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.312 -0.867 . . . . 0.0 109.297 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.517 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 3.0 mtp -57.13 -55.85 29.36 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.339 -0.85 . . . . 0.0 108.971 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.587 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 21.6 m-85 -59.6 -34.66 73.03 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.377 -0.827 . . . . 0.0 108.897 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.517 ' HA ' ' ND2' ' B' ' 345' ' ' ASN . 4.3 ttt180 -52.96 -33.71 52.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.483 -0.761 . . . . 0.0 109.139 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.0 tp10 -75.82 -53.77 7.95 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 0.0 110.141 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.779 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.7 mm? -51.17 -59.29 4.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.95 -1.094 . . . . 0.0 109.14 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.517 ' ND2' ' HA ' ' B' ' 342' ' ' ARG . 0.7 OUTLIER -59.11 -23.02 61.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.173 -0.954 . . . . 0.0 109.153 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 2.1 mt-10 -66.86 -43.89 82.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 0.0 109.393 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.724 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -72.08 -48.64 42.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.182 -0.949 . . . . 0.0 109.36 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.79 HD23 ' HB2' ' C' ' 347' ' ' ALA . 84.8 mt -49.72 -46.38 50.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 109.005 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.89 -35.98 81.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.315 -0.866 . . . . 0.0 108.674 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.056 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -65.27 -24.06 67.21 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.298 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.57 ' CA ' HD21 ' C' ' 350' ' ' LEU . 3.6 ttpp -67.83 -42.05 82.07 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -38.11 89.87 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.444 -0.785 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.69 -5.52 48.32 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.305 -0.872 . . . . 0.0 109.461 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.752 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -81.25 -85.04 0.1 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.267 -0.896 . . . . 0.0 109.458 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' B' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.493 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.393 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.21 -162.31 1.53 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -1.168 . . . . 0.0 109.446 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.59 141.25 44.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.175 -0.953 . . . . 0.0 109.508 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 14.3 m-85 -138.93 148.37 43.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.043 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -108.94 139.53 43.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.18 -0.95 . . . . 0.0 109.771 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -121.69 88.54 2.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.339 -0.85 . . . . 0.0 108.887 179.524 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.714 ' HG2' HG23 ' D' ' 329' ' ' THR . 77.4 mt-30 -82.01 116.55 21.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.221 -0.924 . . . . 0.0 109.813 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.2 152.98 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 109.238 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.37 157.94 15.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 109.322 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 106.7 -126.98 8.68 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 20.2 ttt180 179.08 -49.1 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.17 -1.194 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.2 -55.46 10.55 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 109.452 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.542 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.5 OUTLIER -52.11 -38.57 57.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.17 -0.956 . . . . 0.0 109.201 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.573 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 62.2 t80 -58.79 -48.5 81.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.245 -0.91 . . . . 0.0 109.361 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 12.0 mt-10 -61.92 -33.18 73.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.213 -0.929 . . . . 0.0 109.261 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 3.1 mtp -57.02 -55.23 37.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.312 -0.868 . . . . 0.0 108.946 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' D' ' 344' ' ' LEU . 22.6 m-85 -60.1 -34.29 73.29 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.305 -0.872 . . . . 0.0 108.869 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.503 ' HA ' ' ND2' ' C' ' 345' ' ' ASN . 3.4 ttt180 -53.19 -32.93 50.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.38 -0.825 . . . . 0.0 109.29 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.0 tp10 -76.55 -53.75 7.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.359 -0.838 . . . . 0.0 110.076 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.7 mm? -51.3 -59.66 3.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.907 -1.121 . . . . 0.0 109.172 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.503 ' ND2' ' HA ' ' C' ' 342' ' ' ARG . 0.8 OUTLIER -59.36 -22.34 61.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.134 -0.979 . . . . 0.0 109.272 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' C' ' 343' ' ' GLU . 2.1 mt-10 -67.57 -44.1 79.03 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.287 -0.883 . . . . 0.0 109.325 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.79 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -72.13 -46.0 58.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.27 -0.894 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.724 HD23 ' HB2' ' B' ' 347' ' ' ALA . 84.5 mt -52.69 -46.02 67.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.032 -1.043 . . . . 0.0 108.972 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.68 -35.94 81.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.322 -0.861 . . . . 0.0 108.733 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.056 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -65.5 -23.72 66.96 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.422 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.6 ' CA ' HD21 ' B' ' 350' ' ' LEU . 3.7 ttpp -68.11 -41.69 81.41 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -37.64 88.31 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.487 -0.758 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.09 -5.17 47.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.0 109.595 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.833 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -81.8 -84.86 0.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.231 -0.918 . . . . 0.0 109.479 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' C' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.009 -0.995 . . . . 0.0 109.518 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.09 -162.77 1.63 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.37 -1.076 . . . . 0.0 109.427 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.33 141.27 43.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -0.871 . . . . 0.0 109.393 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 14.2 m-85 -138.89 148.26 43.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.0 109.408 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.043 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -108.84 139.61 43.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -0.938 . . . . 0.0 109.834 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.573 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -121.79 88.47 2.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.314 -0.866 . . . . 0.0 108.911 179.574 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.719 ' HG2' HG23 ' C' ' 329' ' ' THR . 77.5 mt-30 -81.87 116.43 21.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.29 -0.882 . . . . 0.0 109.789 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.95 152.86 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.273 -0.892 . . . . 0.0 109.426 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.19 157.82 15.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.142 -0.974 . . . . 0.0 109.505 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 106.63 -126.91 8.66 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 19.9 ttt180 179.41 -49.15 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.222 -1.164 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.24 -55.6 10.05 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 0.0 109.433 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.542 ' HD3' HD13 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -51.99 -38.37 56.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.167 -0.958 . . . . 0.0 109.219 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.576 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 62.0 t80 -58.97 -48.59 80.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.27 -0.894 . . . . 0.0 109.323 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 11.8 mt-10 -61.82 -33.14 73.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -0.935 . . . . 0.0 109.172 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.517 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.1 mtp -57.17 -55.32 36.29 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.362 -0.836 . . . . 0.0 109.001 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 22.1 m-85 -59.92 -34.25 72.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.368 -0.833 . . . . 0.0 108.915 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.504 ' HA ' ' ND2' ' D' ' 345' ' ' ASN . 3.3 ttt180 -53.26 -32.84 50.48 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.334 -0.854 . . . . 0.0 109.303 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.0 tp10 -76.62 -53.63 7.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.341 -0.849 . . . . 0.0 110.073 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.731 ' HB3' HD12 ' A' ' 344' ' ' LEU . 1.5 mm? -51.46 -59.39 4.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.94 -1.1 . . . . 0.0 109.137 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.504 ' ND2' ' HA ' ' D' ' 342' ' ' ARG . 0.8 OUTLIER -59.52 -22.49 61.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.086 -1.009 . . . . 0.0 109.301 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' D' ' 343' ' ' GLU . 2.1 mt-10 -67.23 -43.92 80.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.305 -0.872 . . . . 0.0 109.35 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.782 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.81 -48.38 46.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.212 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.685 HD23 ' HB2' ' A' ' 347' ' ' ALA . 84.6 mt -50.18 -46.75 54.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.922 . . . . 0.0 109.05 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.37 -36.22 81.58 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.011 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -65.03 -24.32 67.45 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.613 ' CA ' HD21 ' A' ' 350' ' ' LEU . 3.8 ttpp -68.0 -41.66 81.92 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -37.5 87.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.422 -0.799 . . . . 0.0 109.274 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.35 -5.52 49.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.376 -0.827 . . . . 0.0 109.579 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.918 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -81.69 -84.48 0.11 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 109.42 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' D' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.559 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.3 175.28 9.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -1.132 . . . . 0.0 109.431 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.598 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 5.4 m-85 -99.79 109.16 21.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.291 -0.881 . . . . 0.0 109.127 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.606 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 33.9 m-85 -108.8 162.76 13.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -0.933 . . . . 0.0 109.11 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.058 HG22 HG22 ' B' ' 329' ' ' THR . 0.3 OUTLIER -124.83 138.01 54.28 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.185 -0.947 . . . . 0.0 109.967 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.769 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -117.94 95.66 5.01 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.244 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.5 mt-30 -88.93 114.22 25.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.179 -0.951 . . . . 0.0 109.104 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 2.6 mp -110.76 128.35 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.402 -0.811 . . . . 0.0 109.535 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.586 ' HG2' ' CZ ' ' B' ' 327' ' ' TYR . 8.5 mtp180 -90.61 97.42 11.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.422 -0.799 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.06 -137.11 4.41 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.27 -51.03 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.261 -1.141 . . . . 0.0 109.298 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.17 -51.68 29.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.151 -0.968 . . . . 0.0 109.289 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.699 ' HD3' HD22 ' B' ' 348' ' ' LEU . 5.8 mtm180 -60.29 -36.63 78.29 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.222 -0.924 . . . . 0.0 108.817 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.781 ' CE1' HD12 ' B' ' 330' ' ' LEU . 88.5 t80 -63.27 -40.96 98.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.334 -0.854 . . . . 0.0 108.836 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 342' ' ' ARG . 1.9 mt-10 -63.59 -34.25 77.41 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 108.78 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.552 ' O ' HD22 ' A' ' 344' ' ' LEU . 15.2 mtp -55.98 -56.57 19.09 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.869 0.843 . . . . 0.0 109.203 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 8.7 m-85 -59.86 -34.16 72.76 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.882 0.848 . . . . 0.0 109.211 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 0.0 OUTLIER -55.96 -39.99 72.56 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.488 0.661 . . . . 0.0 109.272 179.76 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.529 ' HB3' ' HE1' ' C' ' 340' ' ' MET . 0.4 OUTLIER -71.15 -47.64 56.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.364 -0.835 . . . . 0.0 109.772 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.734 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.7 mm? -54.43 -60.64 3.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.94 . . . . 0.0 109.679 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.586 ' C ' ' ND2' ' A' ' 345' ' ' ASN . 0.0 OUTLIER -62.4 -19.93 63.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.164 -0.96 . . . . 0.0 109.771 -179.637 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 7.2 tt0 -68.55 -47.91 65.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.128 -0.983 . . . . 0.0 109.639 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.785 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -69.37 -44.46 71.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.116 -0.99 . . . . 0.0 109.716 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.879 HD23 ' HB2' ' D' ' 347' ' ' ALA . 25.5 mt -54.19 -49.15 70.02 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.51 -31.06 69.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.037 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -69.11 -30.22 68.46 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.638 ' CA ' HD21 ' D' ' 350' ' ' LEU . 3.9 ttmt -58.37 -43.58 88.48 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.76 -23.81 60.87 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.812 -0.555 . . . . 0.0 109.526 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -88.32 -5.34 58.38 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.297 -0.877 . . . . 0.0 110.17 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.667 ' CD ' HD13 ' D' ' 350' ' ' LEU . 6.0 mt-30 -48.47 160.95 0.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.716 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.547 179.901 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.7 175.39 9.37 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -1.122 . . . . 0.0 109.551 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.586 ' CZ ' ' HG2' ' A' ' 333' ' ' ARG . 5.2 m-85 -100.06 106.92 18.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.582 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 33.7 m-85 -107.55 161.33 14.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.122 -0.986 . . . . 0.0 109.458 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.058 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -122.39 144.65 48.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.19 -0.944 . . . . 0.0 109.634 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.781 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -124.39 87.03 2.65 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.335 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 3.0 mt-30 -80.82 115.2 20.19 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 110.073 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.59 128.07 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.383 -0.823 . . . . 0.0 109.09 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.598 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 8.6 mtp180 -90.6 96.98 10.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 109.434 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.58 -137.0 4.34 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.29 -51.15 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -1.157 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.96 -51.05 35.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.86 . . . . 0.0 109.332 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.649 ' HD3' HD22 ' A' ' 348' ' ' LEU . 6.2 mtm180 -61.15 -36.9 81.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.196 -0.94 . . . . 0.0 108.967 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.769 ' CE1' HD12 ' A' ' 330' ' ' LEU . 88.7 t80 -62.75 -41.4 99.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 0.0 108.947 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 2.0 mt-10 -63.28 -35.16 79.44 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.28 -0.887 . . . . 0.0 108.646 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.529 ' O ' HD22 ' B' ' 344' ' ' LEU . 17.1 mtp -55.95 -57.34 12.51 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 12.8 m-85 -59.49 -31.09 69.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.452 -0.78 . . . . 0.0 109.004 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.0 OUTLIER -59.39 -38.18 79.87 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.31 -0.869 . . . . 0.0 109.5 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.442 ' HB3' ' HE1' ' D' ' 340' ' ' MET . 0.4 OUTLIER -72.21 -47.57 49.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.356 -0.84 . . . . 0.0 109.719 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.77 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.7 mm? -54.4 -61.24 2.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.16 -0.963 . . . . 0.0 109.451 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.604 ' ND2' ' C ' ' B' ' 345' ' ' ASN . 0.0 OUTLIER -61.37 -19.6 62.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 109.8 -179.58 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 7.5 tt0 -70.15 -48.24 58.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 0.0 109.537 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.858 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -68.21 -45.52 73.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.202 -0.936 . . . . 0.0 109.434 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.903 HD23 ' HB2' ' C' ' 347' ' ' ALA . 25.7 mt -53.58 -49.82 66.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 108.831 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.62 -34.08 70.76 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.057 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -65.11 -32.55 74.31 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.365 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.645 ' CA ' HD21 ' C' ' 350' ' ' LEU . 3.9 ttmt -56.86 -42.08 79.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -74.87 -21.74 59.07 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.431 -0.793 . . . . 0.0 109.373 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.6 -5.1 57.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 109.728 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.667 ' CD ' HD13 ' C' ' 350' ' ' LEU . 5.7 mt-30 -48.99 160.79 0.17 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.154 -0.966 . . . . 0.0 109.633 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.483 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.61 175.22 9.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -1.106 . . . . 0.0 109.573 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.579 ' CZ ' ' HG2' ' D' ' 333' ' ' ARG . 5.3 m-85 -99.69 107.09 19.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -0.879 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 33.6 m-85 -107.28 162.34 13.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 109.444 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.045 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -124.13 140.93 52.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.162 -0.961 . . . . 0.0 109.922 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.791 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -121.22 87.59 2.78 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.337 -0.852 . . . . 0.0 108.74 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.1 mt-30 -81.09 115.77 20.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.252 -0.905 . . . . 0.0 109.97 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -112.23 128.71 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 0.0 109.257 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.59 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 8.6 mtp180 -90.93 97.23 11.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.543 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.01 -137.04 4.38 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.02 -51.33 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.312 -1.111 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.72 -51.41 34.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.178 -0.951 . . . . 0.0 109.246 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.693 ' HD3' HD22 ' D' ' 348' ' ' LEU . 6.1 mtm180 -60.9 -36.6 79.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.193 -0.942 . . . . 0.0 108.865 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.793 ' CE1' HD12 ' D' ' 330' ' ' LEU . 88.5 t80 -62.89 -42.07 99.65 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.354 -0.841 . . . . 0.0 108.913 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 2.0 mt-10 -62.63 -35.07 78.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.263 -0.898 . . . . 0.0 108.651 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.53 ' O ' HD22 ' C' ' 344' ' ' LEU . 17.9 mtp -56.07 -56.88 15.49 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.553 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 12.8 m-85 -59.79 -31.28 69.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.0 OUTLIER -59.19 -38.09 79.01 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.341 -0.85 . . . . 0.0 109.466 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.429 ' HB3' ' HE1' ' A' ' 340' ' ' MET . 0.4 OUTLIER -72.34 -47.17 51.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.233 -0.917 . . . . 0.0 109.694 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.7 mm? -54.7 -61.26 2.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.057 -1.027 . . . . 0.0 109.494 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.591 ' C ' ' ND2' ' C' ' 345' ' ' ASN . 0.0 OUTLIER -62.07 -18.9 62.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -0.97 . . . . 0.0 109.859 -179.532 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 7.7 tt0 -70.51 -48.0 57.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.071 -1.018 . . . . 0.0 109.334 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.903 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -68.43 -44.88 73.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.858 HD23 ' HB2' ' B' ' 347' ' ' ALA . 26.5 mt -54.34 -50.05 68.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 108.914 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.26 -33.91 69.92 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.294 -0.879 . . . . 0.0 108.759 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.057 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -65.16 -32.91 74.83 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.407 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.654 ' CA ' HD21 ' B' ' 350' ' ' LEU . 3.9 ttmt -56.37 -42.06 77.2 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -75.04 -21.44 59.04 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.796 . . . . 0.0 109.391 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.9 -4.87 57.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.697 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.656 ' CD ' HD13 ' B' ' 350' ' ' LEU . 5.8 mt-30 -49.19 160.77 0.2 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.0 109.608 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.456 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.56 175.46 9.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.204 -1.174 . . . . 0.0 109.612 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.59 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 5.4 m-85 -100.05 106.9 18.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 109.297 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 33.3 m-85 -107.1 162.27 14.01 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.159 -0.963 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.045 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -124.07 140.93 52.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.185 -0.947 . . . . 0.0 109.904 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.793 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -121.1 87.66 2.79 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.404 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.2 mt-30 -81.13 115.71 20.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.358 -0.839 . . . . 0.0 109.908 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -112.09 128.38 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.409 -0.807 . . . . 0.0 109.255 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.579 ' HG2' ' CZ ' ' C' ' 327' ' ' TYR . 8.6 mtp180 -90.74 97.48 11.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.272 -0.892 . . . . 0.0 109.63 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.83 -137.19 4.47 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.77 -51.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -1.113 . . . . 0.0 109.308 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.53 -51.5 35.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.244 -0.91 . . . . 0.0 109.289 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.682 ' HD3' HD22 ' C' ' 348' ' ' LEU . 6.1 mtm180 -60.84 -36.65 79.65 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.116 -0.99 . . . . 0.0 108.866 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' C' ' 330' ' ' LEU . 88.1 t80 -62.98 -41.79 99.66 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.365 -0.835 . . . . 0.0 108.902 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' D' ' 342' ' ' ARG . 1.9 mt-10 -62.79 -35.21 79.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.303 -0.873 . . . . 0.0 108.652 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.496 ' O ' HD22 ' D' ' 344' ' ' LEU . 17.7 mtp -55.91 -57.32 12.56 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.553 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 13.1 m-85 -59.44 -31.09 68.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.489 -0.757 . . . . 0.0 109.003 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.0 OUTLIER -59.36 -37.99 79.28 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.34 -0.85 . . . . 0.0 109.427 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.451 ' HB3' ' HE1' ' B' ' 340' ' ' MET . 0.4 OUTLIER -72.39 -47.64 47.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.332 -0.855 . . . . 0.0 109.625 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.734 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.4 mm? -54.24 -61.49 2.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.0 109.514 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.588 ' ND2' ' C ' ' D' ' 345' ' ' ASN . 0.0 OUTLIER -61.72 -18.79 61.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.159 -0.963 . . . . 0.0 110.002 -179.617 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 7.6 tt0 -70.35 -48.19 57.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.081 -1.012 . . . . 0.0 109.357 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.879 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -67.99 -45.92 72.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.264 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.785 HD23 ' HB2' ' A' ' 347' ' ' ALA . 26.9 mt -53.39 -50.07 65.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 108.952 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.56 -33.93 70.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 108.649 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.037 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -65.15 -32.74 74.59 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.31 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.678 ' CA ' HD21 ' A' ' 350' ' ' LEU . 3.9 ttmt -56.37 -42.32 77.64 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -74.89 -21.56 59.16 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.615 -0.678 . . . . 0.0 109.359 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.89 -4.76 57.37 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.348 -0.845 . . . . 0.0 109.771 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.706 ' CD ' HD13 ' A' ' 350' ' ' LEU . 6.1 mt-30 -49.7 160.83 0.26 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.103 -0.998 . . . . 0.0 109.715 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.436 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -118.36 -176.31 3.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -1.139 . . . . 0.0 109.352 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.33 109.85 20.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.264 -0.898 . . . . 0.0 109.363 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 59.7 m-85 -106.01 142.54 35.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.901 . . . . 0.0 109.377 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.99 HG22 HG22 ' B' ' 329' ' ' THR . 0.3 OUTLIER -99.86 132.32 45.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -0.943 . . . . 0.0 109.589 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -112.43 94.61 5.01 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.403 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.732 ' HG2' HG23 ' B' ' 329' ' ' THR . 37.7 mt-30 -88.43 122.19 31.64 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.161 -0.962 . . . . 0.0 108.935 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.4 125.39 70.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.325 -0.859 . . . . 0.0 109.602 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 39.5 ttt-85 -85.74 100.04 11.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 109.148 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.39 -132.06 2.23 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -179.07 -49.82 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -1.12 . . . . 0.0 108.86 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.25 -44.15 63.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.778 ' HD2' HD13 ' B' ' 348' ' ' LEU . 17.0 mtm180 -67.16 -38.32 85.28 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.547 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 83.1 t80 -65.95 -32.68 74.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 0.0 108.804 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.23 -40.04 78.18 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.29 -0.881 . . . . 0.0 108.696 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 mtm -59.41 -51.59 69.24 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.784 0.802 . . . . 0.0 109.323 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.67 ' CE1' HD11 ' C' ' 344' ' ' LEU . 5.5 m-85 -62.86 -32.48 73.72 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 121.738 0.78 . . . . 0.0 109.218 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.421 ' HG3' ' CE2' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -65.35 -30.07 70.86 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.36 -50.94 10.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.189 -0.945 . . . . 0.0 109.361 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' C' ' 341' ' ' PHE . 1.0 OUTLIER -55.39 -38.44 68.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.161 -0.962 . . . . 0.0 108.722 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.407 ' HA ' HD12 ' A' ' 348' ' ' LEU . 0.3 OUTLIER -76.54 -24.24 53.62 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.489 -0.757 . . . . 0.0 109.291 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -70.27 -38.05 75.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.202 -0.936 . . . . 0.0 109.285 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.525 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -72.21 -44.63 62.65 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.121 -0.987 . . . . 0.0 109.323 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.749 HD13 ' HD2' ' B' ' 337' ' ' ARG . 29.8 mt -56.96 -49.59 75.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 108.586 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.49 -29.78 66.51 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.985 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.1 -31.29 67.59 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.54 ' CA ' HD21 ' D' ' 350' ' ' LEU . 10.7 ttmt -57.88 -39.49 77.96 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -76.78 -25.76 53.73 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.381 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 354' ' ' GLN . . . -85.83 -7.64 58.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.179 -0.95 . . . . 0.0 109.976 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.634 ' CD ' HD13 ' D' ' 350' ' ' LEU . 12.4 mt-30 -42.61 102.75 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.836 . . . . 0.0 109.706 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.475 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.73 -175.86 2.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -1.133 . . . . 0.0 109.41 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.24 109.31 18.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.31 -0.869 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -105.9 142.34 35.77 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.206 -0.934 . . . . 0.0 109.639 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.99 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -98.47 139.25 34.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 0.0 109.218 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.547 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.8 OUTLIER -119.35 83.46 2.04 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.719 ' HG2' HG23 ' A' ' 329' ' ' THR . 36.7 mt-30 -78.35 123.3 26.83 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.282 -0.887 . . . . 0.0 109.91 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.29 125.72 69.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.32 -0.862 . . . . 0.0 108.899 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -86.4 99.71 11.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.161 -0.962 . . . . 0.0 109.186 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.15 -131.32 2.06 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -179.2 -50.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.42 -1.047 . . . . 0.0 108.926 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.5 -43.59 66.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.376 -0.828 . . . . 0.0 108.83 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.749 ' HD2' HD13 ' A' ' 348' ' ' LEU . 18.0 mtm180 -67.86 -39.02 83.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.281 -0.887 . . . . 0.0 108.695 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.575 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 83.6 t80 -65.38 -32.48 74.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 108.795 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.21 -41.28 77.29 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 mtm -59.79 -51.69 68.68 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.41 -0.806 . . . . 0.0 108.906 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' D' ' 344' ' ' LEU . 4.6 m-85 -62.94 -29.15 70.58 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.422 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -68.55 -29.85 68.51 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.01 -50.43 12.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.45 -0.781 . . . . 0.0 109.344 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.652 HD11 ' CE1' ' D' ' 341' ' ' PHE . 1.1 mm? -56.34 -36.63 68.98 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.134 -0.979 . . . . 0.0 108.499 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.36 -23.63 46.8 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.429 -0.794 . . . . 0.0 109.262 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -70.82 -37.81 73.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.292 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.582 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -72.12 -44.02 63.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.832 . . . . 0.0 109.202 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.778 HD13 ' HD2' ' A' ' 337' ' ' ARG . 29.1 mt -58.34 -49.57 76.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.128 -0.983 . . . . 0.0 108.829 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.43 -31.87 68.15 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.976 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.8 -33.19 74.33 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.344 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.558 ' CA ' HD21 ' C' ' 350' ' ' LEU . 10.7 ttmt -56.7 -37.87 71.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.429 -0.795 . . . . 0.0 108.949 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -79.12 -24.04 43.66 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.41 -0.806 . . . . 0.0 109.203 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' B' ' 354' ' ' GLN . . . -86.93 -7.07 58.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.899 . . . . 0.0 109.511 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.651 ' CD ' HD13 ' C' ' 350' ' ' LEU . 13.1 mt-30 -43.68 103.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.92 . . . . 0.0 109.644 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.494 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.88 -175.89 2.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -1.15 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.14 109.32 18.96 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -0.883 . . . . 0.0 109.333 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -105.64 142.86 34.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.532 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.996 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -99.67 134.45 42.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 0.0 109.697 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.55 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -114.78 86.27 2.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.305 -0.872 . . . . 0.0 108.907 179.569 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.699 ' HG2' HG23 ' D' ' 329' ' ' THR . 35.7 mt-30 -80.55 122.97 27.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.385 -0.822 . . . . 0.0 109.776 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -125.48 125.31 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.417 -0.802 . . . . 0.0 109.275 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -85.63 100.04 11.69 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.163 -0.961 . . . . 0.0 109.425 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.49 -131.95 2.26 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -178.39 -50.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.372 -1.075 . . . . 0.0 108.968 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.43 -44.2 65.32 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.243 -0.911 . . . . 0.0 108.747 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.742 ' HD2' HD13 ' D' ' 348' ' ' LEU . 17.1 mtm180 -67.43 -38.67 84.93 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.541 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 83.4 t80 -65.55 -33.09 75.11 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.319 -0.863 . . . . 0.0 108.829 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.47 -40.89 80.83 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.276 -0.89 . . . . 0.0 108.673 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.4 mtm -59.95 -51.51 69.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.806 . . . . 0.0 108.868 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 344' ' ' LEU . 4.6 m-85 -63.03 -28.96 70.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.46 -0.775 . . . . 0.0 109.079 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.419 ' HG3' ' CE2' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -68.82 -29.08 67.34 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.3 -0.875 . . . . 0.0 108.765 179.434 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.73 -50.51 11.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.438 -0.789 . . . . 0.0 109.206 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.67 HD11 ' CE1' ' A' ' 341' ' ' PHE . 1.0 OUTLIER -56.52 -36.71 69.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.18 -0.95 . . . . 0.0 108.582 179.562 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.403 ' OD1' ' CE2' ' D' ' 341' ' ' PHE . 0.3 OUTLIER -78.33 -23.22 47.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.501 -0.75 . . . . 0.0 109.242 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -72.08 -37.25 69.63 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.265 -0.897 . . . . 0.0 109.237 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.641 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -72.76 -41.05 65.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.259 -0.901 . . . . 0.0 109.156 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.703 HD13 ' HD2' ' D' ' 337' ' ' ARG . 28.5 mt -61.4 -48.79 79.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.982 . . . . 0.0 108.83 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.65 -31.5 68.21 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.976 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -68.37 -32.41 72.48 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.567 ' CA ' HD21 ' B' ' 350' ' ' LEU . 10.7 ttmt -57.33 -37.24 72.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.435 -0.791 . . . . 0.0 108.968 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.53 -24.14 42.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.367 -0.833 . . . . 0.0 109.173 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 353' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' C' ' 354' ' ' GLN . . . -86.85 -7.08 58.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.297 -0.877 . . . . 0.0 109.528 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.673 ' CD ' HD13 ' B' ' 350' ' ' LEU . 13.3 mt-30 -43.54 103.19 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 0.0 109.68 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.399 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.75 -175.83 2.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -1.159 . . . . 0.0 109.424 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.29 109.28 18.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.319 -0.863 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.407 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 59.4 m-85 -105.53 142.66 34.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.503 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.996 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -99.62 134.62 42.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.384 -0.823 . . . . 0.0 109.64 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.541 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.8 OUTLIER -114.86 86.1 2.38 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.259 -0.9 . . . . 0.0 108.949 179.57 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.722 ' HG2' HG23 ' C' ' 329' ' ' THR . 35.8 mt-30 -80.32 122.81 27.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 0.0 109.731 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -125.02 125.15 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.305 -0.872 . . . . 0.0 109.344 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -85.4 100.25 11.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.094 -1.004 . . . . 0.0 109.535 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.11 -132.2 2.35 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -177.93 -50.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.311 -1.111 . . . . 0.0 108.972 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.29 -44.35 65.38 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.329 -0.857 . . . . 0.0 108.789 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.703 ' HD2' HD13 ' C' ' 348' ' ' LEU . 16.9 mtm180 -67.08 -38.82 86.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.303 -0.873 . . . . 0.0 108.694 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.55 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 83.0 t80 -65.44 -33.33 75.7 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.25 -40.82 81.85 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.3 mtm -60.23 -51.01 71.38 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.368 -0.833 . . . . 0.0 108.93 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' B' ' 344' ' ' LEU . 4.5 m-85 -63.55 -28.5 69.98 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.457 -0.777 . . . . 0.0 109.012 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.408 ' HG3' ' CE2' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -69.09 -29.28 67.34 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.364 -0.835 . . . . 0.0 108.761 179.434 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.47 -50.74 11.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.442 -0.786 . . . . 0.0 109.147 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.652 HD11 ' CE1' ' B' ' 341' ' ' PHE . 0.8 OUTLIER -56.3 -36.88 69.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 108.638 179.569 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.26 -23.35 47.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.446 -0.784 . . . . 0.0 109.221 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -71.25 -37.75 71.94 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.912 . . . . 0.0 109.23 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.656 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.71 -43.97 64.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.284 -0.885 . . . . 0.0 109.103 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.742 HD13 ' HD2' ' C' ' 337' ' ' ARG . 29.7 mt -58.73 -49.53 77.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 108.865 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.44 -31.78 68.07 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.239 -0.913 . . . . 0.0 108.554 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.985 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -67.88 -33.07 74.02 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.59 ' CA ' HD21 ' A' ' 350' ' ' LEU . 10.6 ttmt -56.84 -37.81 71.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.312 -0.867 . . . . 0.0 108.949 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -79.12 -24.08 43.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 109.196 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -86.96 -6.85 58.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.247 -0.908 . . . . 0.0 109.533 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.69 ' OE1' HD13 ' A' ' 350' ' ' LEU . 13.0 mt-30 -44.22 103.85 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.0 109.678 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.419 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.35 -171.28 3.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.222 -1.164 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -100.56 121.79 42.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.352 -0.842 . . . . 0.0 109.539 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 81.0 m-85 -115.72 161.17 19.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 0.0 109.397 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.148 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -120.82 135.25 55.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.325 -0.86 . . . . 0.0 109.484 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.668 HD21 ' OD1' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -115.84 93.6 4.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.488 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.748 ' HG3' HG23 ' B' ' 329' ' ' THR . 1.0 OUTLIER -89.79 116.52 27.95 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.236 -0.915 . . . . 0.0 109.126 -179.192 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.536 HD11 HD22 ' A' ' 330' ' ' LEU . 5.9 mt -120.07 142.22 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.485 -0.759 . . . . 0.0 109.565 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -92.14 131.39 37.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.495 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.64 -133.38 6.91 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -173.03 -64.67 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.223 -1.163 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.95 -51.67 55.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.317 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.76 ' HG2' HD13 ' B' ' 348' ' ' LEU . 1.4 mtm180 -57.21 -46.6 82.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.089 -1.007 . . . . 0.0 109.036 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 62.1 t80 -55.65 -29.17 58.81 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.234 -0.916 . . . . 0.0 109.249 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -72.19 -40.02 68.21 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.016 -1.053 . . . . 0.0 109.094 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.456 ' O ' HD23 ' A' ' 344' ' ' LEU . 9.2 mtm -62.59 -42.58 99.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.0 109.683 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.8 ' CE1' HD11 ' C' ' 344' ' ' LEU . 6.3 m-85 -70.42 -34.52 72.6 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.655 0.74 . . . . 0.0 109.499 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 44.2 ttt180 -60.25 -41.69 93.75 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -39.19 61.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.872 . . . . 0.0 109.76 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 1.012 HD12 HD12 ' D' ' 344' ' ' LEU . 0.5 OUTLIER -56.13 -57.52 11.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.153 -0.967 . . . . 0.0 109.159 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.671 ' OD1' HD21 ' B' ' 330' ' ' LEU . 0.2 OUTLIER -66.88 -22.38 65.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 109.979 -179.559 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 9.1 tt0 -64.88 -41.7 95.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.069 -1.019 . . . . 0.0 109.515 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.885 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -72.75 -48.51 37.83 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.298 -0.876 . . . . 0.0 109.872 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.961 HD23 ' HB2' ' D' ' 347' ' ' ALA . 60.7 mt -51.26 -50.91 58.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.094 -1.004 . . . . 0.0 108.776 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.93 -31.36 70.89 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.215 -0.928 . . . . 0.0 108.555 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.02 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.08 -30.07 70.99 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 120.97 -1.081 . . . . 0.0 108.262 179.285 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 354' ' ' GLN . 17.6 tttt -62.18 -46.42 89.02 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.06 -31.21 68.66 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.932 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -93.46 30.26 1.77 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.236 -0.915 . . . . 0.0 109.883 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.514 ' OE1' ' HG2' ' D' ' 354' ' ' GLN . 0.0 OUTLIER -109.36 80.38 1.31 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.146 -0.971 . . . . 0.0 109.521 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.046 -1.034 . . . . 0.0 109.491 -179.816 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.48 -170.8 3.65 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.183 -1.187 . . . . 0.0 109.519 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -101.11 122.11 43.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.243 -0.91 . . . . 0.0 109.428 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.544 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 80.5 m-85 -117.05 159.57 22.34 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.21 -0.932 . . . . 0.0 109.68 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.148 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.52 143.88 45.63 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.0 109.184 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.671 HD21 ' OD1' ' A' ' 345' ' ' ASN . 0.2 OUTLIER -124.35 82.14 2.01 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.626 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.574 ' HG3' HG23 ' A' ' 329' ' ' THR . 0.9 OUTLIER -79.36 118.51 21.33 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.425 -0.797 . . . . 0.0 110.123 -179.089 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.56 HD11 HD22 ' B' ' 330' ' ' LEU . 6.1 mt -121.82 141.1 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.437 -0.789 . . . . 0.0 109.158 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -91.39 131.51 36.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.219 -0.926 . . . . 0.0 109.431 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.85 -133.56 6.97 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -173.17 -64.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.201 -1.176 . . . . 0.0 109.423 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -51.64 -51.14 58.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.92 . . . . 0.0 109.365 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.728 ' HG2' HD13 ' A' ' 348' ' ' LEU . 1.4 mtm180 -57.51 -48.09 80.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 61.6 t80 -54.44 -28.8 46.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.173 -0.954 . . . . 0.0 109.285 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -72.48 -41.2 66.27 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.228 -0.92 . . . . 0.0 109.092 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.45 ' O ' HD23 ' B' ' 344' ' ' LEU . 11.4 mtm -62.94 -42.72 99.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.327 -0.858 . . . . 0.0 109.104 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.771 ' CE1' HD11 ' D' ' 344' ' ' LEU . 5.2 m-85 -70.33 -31.46 68.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.392 -0.818 . . . . 0.0 109.214 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 46.3 ttt180 -63.43 -40.45 97.2 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.248 -0.908 . . . . 0.0 109.173 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -38.27 58.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.377 -0.827 . . . . 0.0 109.666 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.983 HD12 HD12 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -57.56 -54.97 40.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.139 -0.976 . . . . 0.0 109.135 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.668 ' OD1' HD21 ' A' ' 330' ' ' LEU . 0.2 OUTLIER -68.99 -22.65 64.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 109.81 -179.579 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 8.9 tt0 -64.99 -42.65 94.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.109 -0.994 . . . . 0.0 109.499 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.899 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -70.99 -50.11 37.87 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.324 -0.86 . . . . 0.0 109.622 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.998 HD23 ' HB2' ' C' ' 347' ' ' ALA . 67.0 mt -50.17 -51.71 41.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.103 -0.998 . . . . 0.0 109.198 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.61 -33.27 72.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.284 -0.885 . . . . 0.0 108.618 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -62.44 -31.66 72.4 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.488 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 17.9 tttt -60.92 -46.09 92.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.477 -0.764 . . . . 0.0 108.968 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -27.91 67.5 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.412 -0.805 . . . . 0.0 109.099 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -95.74 29.04 2.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.304 -0.873 . . . . 0.0 109.401 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.561 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -109.19 82.34 1.58 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.43 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.47 -170.56 3.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.149 -1.206 . . . . 0.0 109.405 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -101.45 121.93 42.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 0.0 109.38 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 79.8 m-85 -115.93 160.8 19.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.199 -0.938 . . . . 0.0 109.511 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.072 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -120.09 138.09 53.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.247 -0.908 . . . . 0.0 109.465 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.677 HD21 ' OD1' ' D' ' 345' ' ' ASN . 0.2 OUTLIER -118.61 84.87 2.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.345 -0.847 . . . . 0.0 108.939 179.796 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.679 ' HG3' HG23 ' D' ' 329' ' ' THR . 0.9 OUTLIER -81.64 118.4 22.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.267 -0.895 . . . . 0.0 109.973 -179.441 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.562 HD11 HD22 ' C' ' 330' ' ' LEU . 6.1 mt -121.8 141.92 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.363 -0.836 . . . . 0.0 109.137 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -92.01 131.0 37.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.226 -0.921 . . . . 0.0 109.662 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.86 -133.81 7.11 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.69 -64.55 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -1.189 . . . . 0.0 109.388 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.54 -51.0 58.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.759 ' HG2' HD13 ' D' ' 348' ' ' LEU . 1.5 mtm180 -57.9 -47.36 83.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.244 -0.91 . . . . 0.0 109.175 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 62.3 t80 -55.04 -29.29 57.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.278 -0.889 . . . . 0.0 109.327 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -71.72 -41.45 68.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.197 -0.939 . . . . 0.0 109.181 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.406 ' O ' HD23 ' C' ' 344' ' ' LEU . 11.2 mtm -62.72 -42.3 99.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 0.0 109.156 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.761 ' CE1' HD11 ' A' ' 344' ' ' LEU . 5.2 m-85 -70.58 -31.91 69.09 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.366 -0.834 . . . . 0.0 109.21 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 46.1 ttt180 -62.75 -40.61 97.79 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.302 -0.874 . . . . 0.0 109.156 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.83 -38.07 58.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.357 -0.839 . . . . 0.0 109.768 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.983 HD12 HD12 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -57.57 -54.63 44.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.181 -0.949 . . . . 0.0 109.154 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.694 ' OD1' HD21 ' D' ' 330' ' ' LEU . 0.2 OUTLIER -69.58 -22.42 63.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.879 . . . . 0.0 109.853 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 9.0 tt0 -65.04 -42.11 94.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.933 -1.104 . . . . 0.0 109.357 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.998 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -71.5 -49.61 39.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.297 -0.877 . . . . 0.0 109.567 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.889 HD23 ' HB2' ' B' ' 347' ' ' ALA . 66.5 mt -50.8 -51.33 51.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.112 -0.992 . . . . 0.0 109.152 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.75 -33.11 72.43 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -62.84 -31.07 72.01 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.301 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.472 ' N ' ' HG ' ' C' ' 350' ' ' LEU . 17.9 tttt -61.09 -46.31 91.15 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -27.98 67.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.12 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -95.75 29.46 2.66 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.455 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.644 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -109.7 82.18 1.55 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.289 -0.882 . . . . 0.0 109.473 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.441 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 -170.77 3.62 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.265 -1.138 . . . . 0.0 109.502 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -101.39 122.08 43.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -0.924 . . . . 0.0 109.377 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 79.4 m-85 -116.09 160.83 19.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 0.0 109.499 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.072 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -120.14 138.1 53.78 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.224 -0.923 . . . . 0.0 109.556 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.694 HD21 ' OD1' ' C' ' 345' ' ' ASN . 0.2 OUTLIER -118.59 84.68 2.22 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.334 -0.854 . . . . 0.0 108.982 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.704 ' HG3' HG23 ' C' ' 329' ' ' THR . 0.9 OUTLIER -81.45 118.37 22.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.316 -0.865 . . . . 0.0 109.965 -179.427 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.555 HD11 HD22 ' D' ' 330' ' ' LEU . 6.0 mt -121.63 141.74 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.318 -0.864 . . . . 0.0 109.342 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -91.8 131.68 36.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.956 . . . . 0.0 109.675 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.33 -133.85 7.2 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.61 -64.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -1.132 . . . . 0.0 109.418 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -51.66 -51.12 58.37 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.24 -0.912 . . . . 0.0 109.279 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.725 ' HG2' HD13 ' C' ' 348' ' ' LEU . 1.5 mtm180 -57.56 -47.54 81.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.186 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 62.3 t80 -54.8 -29.34 54.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.336 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -71.79 -41.41 68.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.0 109.165 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.3 mtm -62.64 -42.59 99.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -0.884 . . . . 0.0 109.14 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.77 ' CE1' HD11 ' B' ' 344' ' ' LEU . 5.1 m-85 -70.33 -31.52 68.86 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.397 -0.814 . . . . 0.0 109.194 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 45.8 ttt180 -63.28 -40.37 97.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.348 -0.845 . . . . 0.0 109.193 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -38.18 58.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.457 -0.777 . . . . 0.0 109.767 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -57.52 -55.11 39.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 0.0 109.13 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.677 ' OD1' HD21 ' C' ' 330' ' ' LEU . 0.2 OUTLIER -69.07 -22.26 64.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.264 -0.897 . . . . 0.0 109.992 -179.555 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 8.9 tt0 -65.15 -41.85 94.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.025 -1.047 . . . . 0.0 109.359 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.961 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.54 -50.48 30.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.275 -0.891 . . . . 0.0 109.548 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.866 HD23 ' HB2' ' A' ' 347' ' ' ALA . 67.4 mt -49.88 -51.66 38.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 109.062 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -60.7 -33.38 72.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.342 -0.849 . . . . 0.0 108.725 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.02 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -62.41 -31.29 71.95 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.266 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.484 ' N ' ' HG ' ' D' ' 350' ' ' LEU . 17.9 tttt -61.14 -45.95 92.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.578 -0.701 . . . . 0.0 109.111 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -27.25 67.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.398 -0.814 . . . . 0.0 109.133 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -96.37 29.14 2.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.289 -0.882 . . . . 0.0 109.545 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.728 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -110.02 82.38 1.58 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 0.0 109.384 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.413 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.29 -173.26 3.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.216 -1.167 . . . . 0.0 109.431 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.567 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 2.0 m-85 -100.82 122.39 43.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.929 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 62.2 m-85 -116.16 165.8 12.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.161 -0.962 . . . . 0.0 109.533 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.03 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -134.89 136.15 42.15 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.22 -0.925 . . . . 0.0 109.953 -179.222 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.764 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -114.1 95.31 5.23 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.13 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 12.8 tt0 -88.64 110.1 20.66 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.263 -0.898 . . . . 0.0 108.959 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.51 124.06 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.501 -0.749 . . . . 0.0 109.893 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.521 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 4.6 tmm_? -86.23 100.77 12.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 108.625 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.04 -131.05 2.1 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -175.8 -51.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -1.076 . . . . 0.0 109.005 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.25 -45.94 58.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.172 -0.955 . . . . 0.0 108.89 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.636 ' HD3' HD22 ' B' ' 348' ' ' LEU . 43.1 mtm-85 -61.86 -43.19 99.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.264 -0.898 . . . . 0.0 108.747 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.73 ' CE1' HD12 ' B' ' 330' ' ' LEU . 66.0 t80 -59.49 -37.74 79.02 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.274 -0.891 . . . . 0.0 108.776 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 342' ' ' ARG . 0.9 OUTLIER -61.78 -44.65 96.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.248 -0.907 . . . . 0.0 108.826 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.453 ' SD ' ' OE2' ' C' ' 343' ' ' GLU . 10.8 mtp -51.98 -53.02 46.41 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.927 0.87 . . . . 0.0 109.588 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CE1' HD11 ' C' ' 344' ' ' LEU . 5.2 m-85 -62.31 -29.79 70.69 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.931 0.872 . . . . 0.0 109.199 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 339' ' ' GLU . 9.8 mtp180 -62.94 -38.55 91.51 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.463 ' HG2' ' HE1' ' C' ' 340' ' ' MET . 1.1 tt0 -69.32 -48.21 62.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.184 -0.948 . . . . 0.0 109.17 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' C' ' 341' ' ' PHE . 1.2 mm? -60.72 -29.13 69.16 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.538 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.4 t-20 -80.59 -24.2 39.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.12 -42.16 66.37 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.613 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -67.46 -47.68 69.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 109.237 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' D' ' 347' ' ' ALA . 26.3 mt -58.38 -43.92 88.67 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 345' ' ' ASN . 1.8 tt0 -64.0 -26.58 68.63 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.046 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -72.37 -25.82 61.66 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.088 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.527 ' HA ' ' HG3' ' A' ' 354' ' ' GLN . 27.9 tttt -66.89 -43.18 84.12 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -72.67 -22.26 60.95 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.266 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 355' ' ' ALA . . . -92.56 -9.74 40.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 109.91 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.583 ' CD ' HD13 ' D' ' 350' ' ' LEU . 7.6 mt-30 -45.31 98.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.384 -0.823 . . . . 0.0 109.669 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.571 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.25 -173.5 4.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -1.096 . . . . 0.0 109.362 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.521 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 2.0 m-85 -100.57 122.63 43.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 109.561 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 61.3 m-85 -117.56 163.68 16.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.199 -0.938 . . . . 0.0 109.558 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.03 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -131.86 144.26 50.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 109.651 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.73 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -121.3 86.13 2.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 8.5 tt0 -79.21 111.74 15.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.912 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -111.96 123.74 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.517 -0.739 . . . . 0.0 109.389 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 4.5 tmm_? -86.59 98.88 11.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.372 -0.83 . . . . 0.0 109.071 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.31 -130.75 1.98 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -175.02 -51.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.288 -1.125 . . . . 0.0 109.115 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.05 -44.44 63.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.17 -0.956 . . . . 0.0 108.956 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.581 ' HD3' HD22 ' A' ' 348' ' ' LEU . 40.8 mtm-85 -63.13 -44.38 95.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.223 -0.923 . . . . 0.0 108.966 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.764 ' CE1' HD12 ' A' ' 330' ' ' LEU . 65.9 t80 -58.28 -38.55 77.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.233 -0.917 . . . . 0.0 108.767 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' B' ' 342' ' ' ARG . 0.9 OUTLIER -61.17 -46.31 91.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 108.616 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.475 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 12.0 mtp -51.28 -54.25 27.75 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.498 -0.751 . . . . 0.0 108.979 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' D' ' 344' ' ' LEU . 3.9 m-85 -62.1 -26.13 68.11 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' B' ' 339' ' ' GLU . 9.7 mtp180 -66.12 -38.12 87.4 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.444 -0.785 . . . . 0.0 109.031 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.475 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 1.1 tt0 -69.11 -47.86 64.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.827 . . . . 0.0 108.941 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.542 HD12 HD12 ' C' ' 344' ' ' LEU . 1.1 mm? -61.66 -26.48 68.04 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.575 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.4 t-20 -83.8 -22.34 31.85 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.92 -41.53 61.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.466 -0.771 . . . . 0.0 109.017 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.658 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -66.81 -49.18 66.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.413 -0.804 . . . . 0.0 108.913 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.636 HD22 ' HD3' ' A' ' 337' ' ' ARG . 26.0 mt -58.04 -44.08 87.18 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 349' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' B' ' 345' ' ' ASN . 1.8 tt0 -63.84 -27.14 68.96 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.032 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -71.23 -27.28 63.36 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.193 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.492 ' HA ' ' HG3' ' B' ' 354' ' ' GLN . 28.1 tttt -65.94 -42.31 90.22 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -73.43 -21.83 60.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.372 -0.83 . . . . 0.0 109.166 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' B' ' 355' ' ' ALA . . . -93.1 -9.48 39.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.606 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.601 ' CD ' HD13 ' C' ' 350' ' ' LEU . 7.3 mt-30 -45.64 99.94 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.273 -0.892 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.571 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.47 -173.8 4.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.245 -1.15 . . . . 0.0 109.411 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.602 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 1.9 m-85 -100.51 122.44 43.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.143 -0.973 . . . . 0.0 109.485 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 60.1 m-85 -116.09 166.37 12.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.971 . . . . 0.0 109.544 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.024 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -135.25 139.25 44.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.227 -0.921 . . . . 0.0 109.954 -179.541 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.786 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -117.08 88.01 2.82 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -80.9 111.84 17.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.762 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.12 124.11 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.311 -0.868 . . . . 0.0 109.563 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.592 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 4.4 tmm_? -86.36 99.28 11.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.271 -0.893 . . . . 0.0 109.273 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.77 -131.46 2.17 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -174.42 -51.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -1.096 . . . . 0.0 109.057 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.49 -45.15 63.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.144 -0.972 . . . . 0.0 108.896 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.629 ' HD3' HD22 ' D' ' 348' ' ' LEU . 40.8 mtm-85 -62.57 -43.79 97.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.261 -0.9 . . . . 0.0 108.878 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' D' ' 330' ' ' LEU . 66.0 t80 -58.71 -38.94 79.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.304 -0.872 . . . . 0.0 108.845 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' C' ' 342' ' ' ARG . 0.9 OUTLIER -60.63 -46.17 91.29 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.296 -0.877 . . . . 0.0 108.688 179.39 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.463 ' HE1' ' HG2' ' A' ' 343' ' ' GLU . 13.0 mtp -51.45 -53.74 33.98 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.348 -0.845 . . . . 0.0 108.969 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 344' ' ' LEU . 4.0 m-85 -62.53 -25.91 68.28 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.422 -0.799 . . . . 0.0 109.008 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' C' ' 339' ' ' GLU . 10.2 mtp180 -66.34 -37.61 85.74 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.382 -0.823 . . . . 0.0 109.049 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.453 ' OE2' ' SD ' ' A' ' 340' ' ' MET . 1.1 tt0 -69.39 -47.75 63.28 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.876 . . . . 0.0 108.918 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 341' ' ' PHE . 1.2 mm? -61.87 -26.55 68.22 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.592 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.5 t-20 -84.09 -21.84 31.35 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.55 -41.45 60.55 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.636 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -67.22 -46.65 73.2 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.425 -0.797 . . . . 0.0 109.143 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.6 HD22 ' HD3' ' D' ' 337' ' ' ARG . 25.2 mt -60.56 -43.33 97.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.131 -0.981 . . . . 0.0 108.442 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 349' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' C' ' 345' ' ' ASN . 1.8 tt0 -64.12 -26.88 68.73 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.032 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.4 -26.86 62.94 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.303 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.477 ' HA ' ' HG3' ' C' ' 354' ' ' GLN . 27.9 tttt -66.22 -42.38 88.78 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -73.65 -21.1 60.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.427 -0.796 . . . . 0.0 109.144 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 353' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' C' ' 355' ' ' ALA . . . -93.58 -9.21 38.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.312 -0.867 . . . . 0.0 109.461 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.764 ' CD ' HD13 ' B' ' 350' ' ' LEU . 6.8 mt-30 -46.05 100.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 0.0 109.6 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' C' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.383 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.31 -173.52 4.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.345 -1.091 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.592 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 2.0 m-85 -100.91 122.41 43.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 0.0 109.473 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -116.07 165.98 12.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 0.0 109.498 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.024 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -134.85 139.49 45.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.169 -0.957 . . . . 0.0 109.942 -179.647 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.791 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -116.94 88.16 2.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.351 -0.843 . . . . 0.0 108.754 179.448 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 9.1 tt0 -81.08 112.07 18.11 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.26 -0.9 . . . . 0.0 109.725 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.18 123.83 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.334 -0.854 . . . . 0.0 109.48 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.602 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 4.4 tmm_? -86.47 99.48 11.69 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.3 -0.875 . . . . 0.0 109.339 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.46 -131.29 2.15 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -174.25 -52.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -1.127 . . . . 0.0 109.033 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.36 -44.84 64.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.186 -0.946 . . . . 0.0 108.888 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.6 ' HD3' HD22 ' C' ' 348' ' ' LEU . 40.5 mtm-85 -62.92 -43.89 97.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.225 -0.922 . . . . 0.0 108.82 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.786 ' CE1' HD12 ' C' ' 330' ' ' LEU . 66.0 t80 -58.57 -39.0 79.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.232 -0.918 . . . . 0.0 108.785 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' D' ' 342' ' ' ARG . 0.9 OUTLIER -60.71 -46.08 91.75 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.475 ' HE1' ' HG2' ' B' ' 343' ' ' GLU . 13.3 mtp -51.48 -53.95 32.11 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.375 -0.828 . . . . 0.0 108.995 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' B' ' 344' ' ' LEU . 3.9 m-85 -62.24 -25.88 68.06 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' D' ' 339' ' ' GLU . 10.2 mtp180 -66.31 -38.11 86.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.487 -0.758 . . . . 0.0 109.091 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.475 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 1.1 tt0 -69.12 -47.84 64.06 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.323 -0.86 . . . . 0.0 108.974 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' B' ' 341' ' ' PHE . 1.1 mm? -61.73 -26.6 68.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.589 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.5 t-20 -83.86 -21.88 31.86 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.09 -41.46 61.64 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.641 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -66.49 -49.43 66.6 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.362 -0.836 . . . . 0.0 109.037 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.629 HD22 ' HD3' ' C' ' 337' ' ' ARG . 25.7 mt -58.09 -43.85 87.28 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 349' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' D' ' 345' ' ' ASN . 1.8 tt0 -64.12 -26.89 68.74 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.046 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -71.24 -27.31 63.37 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.181 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.467 ' HA ' ' HG3' ' D' ' 354' ' ' GLN . 28.8 tttt -66.2 -42.33 88.95 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -73.5 -21.65 60.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.405 -0.809 . . . . 0.0 109.048 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 353' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' D' ' 355' ' ' ALA . . . -93.07 -9.1 40.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 109.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.778 ' CD ' HD13 ' A' ' 350' ' ' LEU . 6.1 mt-30 -46.08 100.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.264 -0.897 . . . . 0.0 109.573 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' D' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.496 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.467 ' HB3' ' CE2' ' A' ' 328' ' ' PHE . 2.7 tt0 -117.09 159.9 21.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.272 -1.134 . . . . 0.0 109.4 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -105.58 120.29 41.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.92 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 91.6 m-85 -115.81 142.13 47.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.558 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.138 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -104.7 126.25 51.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.378 -0.826 . . . . 0.0 109.303 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.588 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -107.44 93.91 4.8 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.69 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.683 ' HG2' HG23 ' B' ' 329' ' ' THR . 66.2 mt-30 -88.64 109.07 19.81 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.09 -1.006 . . . . 0.0 108.68 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -112.55 140.19 33.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.415 -0.803 . . . . 0.0 109.575 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -94.15 138.63 31.97 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.31 -0.869 . . . . 0.0 109.206 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 134.08 -126.78 4.33 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 35.4 ttm180 177.48 -46.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.356 -1.085 . . . . 0.0 108.805 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.62 -55.41 6.32 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.388 -0.82 . . . . 0.0 108.972 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.725 ' HG2' HD13 ' B' ' 348' ' ' LEU . 1.5 ttm180 -53.59 -47.4 70.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.873 . . . . 0.0 109.108 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.564 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 85.3 t80 -57.0 -32.95 66.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 109.251 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -40.8 76.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 0.0 109.344 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.567 ' O ' HD22 ' A' ' 344' ' ' LEU . 14.2 mtm -53.83 -54.77 33.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.888 . . . . 0.0 109.56 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.581 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 15.3 m-85 -60.66 -38.97 86.64 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.848 0.832 . . . . 0.0 109.302 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 2.2 ttp180 -50.09 -38.33 38.07 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.26 -56.8 4.46 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.471 -0.768 . . . . 0.0 109.947 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.81 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.4 mm? -44.97 -59.43 2.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.106 -0.996 . . . . 0.0 109.898 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.937 ' HA ' HD12 ' A' ' 348' ' ' LEU . 1.9 p30 -62.47 -27.27 69.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 110.15 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 1.2 tp10 -62.76 -44.78 95.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.032 -1.042 . . . . 0.0 109.77 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -72.38 -39.67 67.86 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.146 -0.972 . . . . 0.0 109.78 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 345' ' ' ASN . 20.2 mt -54.75 -51.48 65.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 0.0 108.628 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -61.93 -29.67 70.38 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.973 HD13 ' NE2' ' D' ' 354' ' ' GLN . 0.1 OUTLIER -68.04 -27.75 66.79 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 120.897 -1.127 . . . . 0.0 107.998 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.698 ' CA ' HD21 ' D' ' 350' ' ' LEU . 2.2 ttpt -64.8 -45.43 86.27 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -58.23 -35.73 72.13 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 119.626 -0.83 . . . . 0.0 108.77 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.47 49.62 1.51 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 109.397 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.849 ' NE2' HD13 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -129.15 138.03 51.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.394 -0.816 . . . . 0.0 109.294 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.063 -1.023 . . . . 0.0 109.42 -179.903 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.458 ' HB3' ' CE2' ' B' ' 328' ' ' PHE . 2.8 tt0 -117.09 160.05 21.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.263 -1.139 . . . . 0.0 109.6 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -105.72 120.81 42.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.289 -0.882 . . . . 0.0 109.221 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 338' ' ' PHE . 90.4 m-85 -116.64 141.96 47.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -0.923 . . . . 0.0 109.807 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.138 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -103.17 133.65 47.91 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.0 108.988 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.564 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 1.0 OUTLIER -114.79 82.35 1.71 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.283 -0.885 . . . . 0.0 108.734 179.738 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.619 ' CG ' HG23 ' A' ' 329' ' ' THR . 68.6 mt-30 -78.65 108.28 11.95 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.287 -0.883 . . . . 0.0 109.794 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -111.84 140.36 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.326 -0.859 . . . . 0.0 109.172 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -94.42 138.22 32.63 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.298 -0.876 . . . . 0.0 109.295 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 133.93 -126.26 4.19 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 35.8 ttm180 177.65 -46.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.394 -1.062 . . . . 0.0 109.023 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.38 -54.83 7.37 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.326 -0.859 . . . . 0.0 109.076 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.707 ' HG2' HD13 ' A' ' 348' ' ' LEU . 1.9 ttm180 -53.93 -48.59 70.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.869 . . . . 0.0 109.22 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.588 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 84.3 t80 -55.87 -32.32 63.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.237 -0.915 . . . . 0.0 109.443 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -42.12 71.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.242 -0.911 . . . . 0.0 109.133 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.548 ' O ' HD22 ' B' ' 344' ' ' LEU . 19.5 mtm -53.81 -56.26 19.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 108.842 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.581 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 19.3 m-85 -58.73 -39.05 79.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.34 -0.85 . . . . 0.0 108.963 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.3 ttp180 -50.43 -36.9 35.27 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.509 -0.744 . . . . 0.0 109.448 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' B' ' 344' ' ' LEU . 5.2 tp10 -75.53 -56.41 4.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.42 -0.8 . . . . 0.0 109.96 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.825 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.4 mm? -45.47 -59.2 2.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.196 -0.94 . . . . 0.0 109.651 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.932 ' HA ' HD12 ' B' ' 348' ' ' LEU . 1.6 p30 -61.79 -27.55 68.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.955 . . . . 0.0 109.938 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 1.2 tp10 -63.69 -43.58 96.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.108 -0.995 . . . . 0.0 109.923 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.44 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -73.7 -38.8 64.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.043 -1.036 . . . . 0.0 109.508 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.932 HD12 ' HA ' ' B' ' 345' ' ' ASN . 20.5 mt -55.41 -52.26 64.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.222 -0.924 . . . . 0.0 108.781 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -60.69 -33.94 73.62 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.953 HD13 ' NE2' ' C' ' 354' ' ' GLN . 0.1 OUTLIER -62.39 -31.24 71.88 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 179.369 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.731 ' CA ' HD21 ' C' ' 350' ' ' LEU . 2.2 ttpt -62.74 -46.0 90.08 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.393 -0.817 . . . . 0.0 108.93 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -57.84 -34.25 69.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.414 -0.804 . . . . 0.0 108.979 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.77 48.02 1.33 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.352 -0.843 . . . . 0.0 109.45 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.929 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -128.52 139.78 52.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.371 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.923 -1.036 . . . . 0.0 109.499 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' C' ' 328' ' ' PHE . 2.8 tt0 -117.52 160.22 21.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -1.19 . . . . 0.0 109.52 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -105.97 120.43 41.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.32 -0.862 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.603 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 89.4 m-85 -115.66 142.48 46.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 0.0 109.589 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.968 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -104.75 128.78 52.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 109.363 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 1.0 OUTLIER -109.98 85.57 2.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 0.0 109.262 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.621 ' CG ' HG23 ' D' ' 329' ' ' THR . 68.5 mt-30 -81.47 108.02 14.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.232 -0.917 . . . . 0.0 109.697 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.73 140.97 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.389 -0.82 . . . . 0.0 109.253 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 20.3 ttp180 -94.9 138.34 32.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.157 -0.964 . . . . 0.0 109.523 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 133.45 -126.85 4.47 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 35.6 ttm180 178.66 -45.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -1.143 . . . . 0.0 109.035 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.38 -55.1 6.83 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.359 -0.838 . . . . 0.0 109.066 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.715 ' HG2' HD13 ' D' ' 348' ' ' LEU . 1.8 ttm180 -53.88 -47.72 70.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.256 -0.902 . . . . 0.0 109.209 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.603 ' CZ ' ' HB3' ' D' ' 328' ' ' PHE . 85.2 t80 -56.7 -32.86 65.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 109.41 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -41.97 74.52 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.961 . . . . 0.0 109.218 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.549 ' O ' HD22 ' C' ' 344' ' ' LEU . 20.6 mtm -53.82 -55.67 24.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.215 -0.928 . . . . 0.0 108.95 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 19.7 m-85 -59.15 -39.24 81.81 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.312 -0.867 . . . . 0.0 108.871 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.0 ttp180 -49.97 -36.54 28.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.435 -0.791 . . . . 0.0 109.476 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.14 -56.35 4.73 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.319 -0.863 . . . . 0.0 109.937 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.825 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.4 mm? -45.36 -59.21 2.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.179 -0.951 . . . . 0.0 109.808 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.935 ' HA ' HD12 ' C' ' 348' ' ' LEU . 1.9 p30 -62.39 -27.36 69.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.098 -1.001 . . . . 0.0 110.051 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 1.2 tp10 -63.97 -43.27 96.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.088 -1.007 . . . . 0.0 109.888 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.492 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -74.04 -36.97 64.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.244 -0.91 . . . . 0.0 109.39 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.935 HD12 ' HA ' ' C' ' 345' ' ' ASN . 20.5 mt -57.2 -51.89 67.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.099 -1.0 . . . . 0.0 108.886 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -60.57 -33.63 72.99 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.286 -0.884 . . . . 0.0 108.687 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.934 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -63.02 -30.62 71.75 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.429 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.766 ' CA ' HD21 ' B' ' 350' ' ' LEU . 2.3 ttpt -63.27 -45.86 89.53 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.93 -34.24 69.66 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.376 -0.827 . . . . 0.0 109.021 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.66 48.77 1.4 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.875 . . . . 0.0 109.428 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.953 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -129.37 140.06 51.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.544 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.54 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.453 ' HB3' ' CE2' ' D' ' 328' ' ' PHE . 2.8 tt0 -117.42 159.75 22.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.173 -1.192 . . . . 0.0 109.464 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 6.0 m-85 -105.53 120.49 41.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.306 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.603 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 89.9 m-85 -115.78 142.44 46.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.122 -0.986 . . . . 0.0 109.587 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.968 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -104.68 129.04 52.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 109.336 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.586 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 1.0 OUTLIER -110.32 85.42 2.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 0.0 109.185 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.622 ' CG ' HG23 ' C' ' 329' ' ' THR . 68.5 mt-30 -81.15 107.99 14.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.18 -0.95 . . . . 0.0 109.699 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.6 141.06 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.258 -0.901 . . . . 0.0 109.285 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -94.9 138.51 32.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.924 . . . . 0.0 109.508 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 133.08 -126.89 4.55 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 35.6 ttm180 178.93 -45.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.329 -1.1 . . . . 0.0 108.98 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.4 -55.43 6.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.355 -0.84 . . . . 0.0 109.075 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.711 ' HG2' HD13 ' C' ' 348' ' ' LEU . 1.7 ttm180 -53.6 -47.55 70.07 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.37 -0.831 . . . . 0.0 109.2 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.603 ' CZ ' ' HB3' ' C' ' 328' ' ' PHE . 84.8 t80 -56.76 -33.09 66.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 0.0 109.327 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -42.16 75.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 0.0 109.116 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.489 ' O ' HD22 ' D' ' 344' ' ' LEU . 19.9 mtm -53.57 -56.05 20.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.0 109.032 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 19.3 m-85 -58.74 -39.07 79.84 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.319 -0.863 . . . . 0.0 108.926 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 ttp180 -50.21 -36.65 31.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.85 . . . . 0.0 109.507 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.84 -56.16 4.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.904 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.4 mm? -45.56 -59.02 2.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.175 -0.953 . . . . 0.0 109.892 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.941 ' HA ' HD12 ' D' ' 348' ' ' LEU . 2.0 p30 -62.78 -26.77 68.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.088 -1.008 . . . . 0.0 110.064 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.509 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 1.2 tp10 -63.98 -43.61 95.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.1 -1.0 . . . . 0.0 109.793 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.505 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -73.4 -39.0 65.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.124 -0.985 . . . . 0.0 109.419 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.941 HD12 ' HA ' ' D' ' 345' ' ' ASN . 19.7 mt -55.49 -52.02 65.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.196 -0.94 . . . . 0.0 108.863 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.69 -34.26 74.09 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.288 -0.882 . . . . 0.0 108.67 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.929 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -62.13 -31.11 71.54 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.767 ' CA ' HD21 ' A' ' 350' ' ' LEU . 2.3 ttpt -62.95 -46.54 87.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.446 -0.784 . . . . 0.0 108.906 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.28 -33.87 68.08 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.467 -0.77 . . . . 0.0 108.945 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -93.3 48.28 1.31 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 0.0 109.415 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.973 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -129.35 139.77 51.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.198 -0.939 . . . . 0.0 109.332 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.551 -179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -124.33 -179.71 4.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -1.133 . . . . 0.0 109.443 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.507 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 6.4 m-85 -102.47 108.91 20.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.219 -0.925 . . . . 0.0 109.365 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 54.7 m-85 -98.04 170.58 8.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.163 -0.961 . . . . 0.0 108.865 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.099 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -138.33 130.49 28.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.167 -0.958 . . . . 0.0 110.116 -179.231 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.824 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -110.94 97.34 6.75 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.241 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.533 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.4 mt-30 -86.75 112.2 21.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.155 -0.965 . . . . 0.0 108.834 -179.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -110.36 113.75 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.513 -0.742 . . . . 0.0 109.809 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.493 ' HG2' ' CZ ' ' B' ' 327' ' ' TYR . 37.6 mtm180 -77.19 97.88 4.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.188 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 171.48 -118.6 0.75 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 5.0 ttm180 173.14 -66.12 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.513 -0.992 . . . . 0.0 109.119 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.01 -51.22 70.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.292 -0.88 . . . . 0.0 109.052 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 340' ' ' MET . 8.4 mtm105 -56.12 -40.55 73.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 108.791 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.883 ' CE1' HD12 ' B' ' 330' ' ' LEU . 71.1 t80 -57.94 -40.98 81.8 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.318 -0.864 . . . . 0.0 108.894 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 342' ' ' ARG . 19.7 mt-10 -61.13 -39.77 91.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.137 -0.977 . . . . 0.0 108.674 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 3.1 mtp -53.48 -49.93 66.42 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.991 0.9 . . . . 0.0 109.285 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.632 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.2 m-85 -66.4 -29.41 69.57 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.705 0.764 . . . . 0.0 109.223 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -60.52 -38.15 83.47 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.446 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 49.1 tp10 -70.59 -49.13 51.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.901 . . . . 0.0 108.726 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.72 HD12 HD12 ' D' ' 344' ' ' LEU . 1.1 mm? -59.77 -23.9 63.64 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.54 ' ND2' HD23 ' B' ' 330' ' ' LEU . 1.0 OUTLIER -85.76 -26.25 25.92 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 350' ' ' LEU . 20.7 tp10 -70.5 -42.23 71.59 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.533 -0.729 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.963 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -74.82 -47.28 31.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.28 -0.887 . . . . 0.0 109.736 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.492 HD11 ' CD1' ' D' ' 344' ' ' LEU . 75.0 mt -54.83 -52.21 63.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.091 -1.006 . . . . 0.0 108.759 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.05 -26.32 68.19 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.129 -0.982 . . . . 0.0 108.538 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.038 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.81 -28.05 63.34 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 120.918 -1.114 . . . . 0.0 108.144 179.443 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.735 ' HG3' HD22 ' D' ' 350' ' ' LEU . 6.8 tttt -62.91 -43.61 98.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.47 -34.86 77.67 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -90.01 26.3 1.89 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.345 -0.847 . . . . 0.0 109.577 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.504 ' HG3' HD11 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -117.38 103.74 10.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 0.0 109.777 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.581 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -124.5 -179.25 4.41 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -1.129 . . . . 0.0 109.458 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.493 ' CZ ' ' HG2' ' A' ' 333' ' ' ARG . 6.2 m-85 -103.11 106.86 17.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.532 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 55.5 m-85 -97.42 166.36 11.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.0 109.17 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.099 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -133.19 137.46 46.18 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.328 -0.858 . . . . 0.0 109.94 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.883 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -117.86 88.61 2.95 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.518 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 3.2 mt-30 -77.95 112.93 15.36 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.185 -0.947 . . . . 0.0 109.858 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.86 114.02 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.347 -0.846 . . . . 0.0 109.289 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 38.0 mtm180 -77.49 97.93 5.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.0 109.171 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 171.02 -119.14 0.78 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.588 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 5.0 ttm180 174.1 -66.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.323 -1.104 . . . . 0.0 109.219 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.53 -50.85 72.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.137 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' B' ' 340' ' ' MET . 8.7 mtm105 -56.53 -41.55 76.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.006 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.824 ' CE1' HD12 ' A' ' 330' ' ' LEU . 72.1 t80 -56.78 -41.86 78.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.197 -0.94 . . . . 0.0 108.777 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 17.7 mt-10 -60.41 -41.06 93.12 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.496 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 3.5 mtp -53.24 -50.35 64.96 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.597 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.3 m-85 -66.48 -26.11 67.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.45 -0.781 . . . . 0.0 109.001 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -63.59 -37.45 87.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.352 -0.842 . . . . 0.0 108.953 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.468 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 49.0 tp10 -70.31 -49.07 53.31 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.271 -0.893 . . . . 0.0 108.797 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.723 HD12 HD12 ' C' ' 344' ' ' LEU . 1.2 mm? -60.34 -23.03 63.93 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.582 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.0 OUTLIER -86.62 -25.66 24.81 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' B' ' 350' ' ' LEU . 21.2 tp10 -71.88 -40.79 68.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.422 -0.799 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.958 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -75.97 -46.69 28.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.329 -0.857 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' C' ' 344' ' ' LEU . 79.1 mt -55.65 -52.02 65.26 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.127 -0.983 . . . . 0.0 108.961 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.94 -28.54 69.61 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.023 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -68.74 -29.66 68.11 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.41 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.724 ' HG3' HD22 ' C' ' 350' ' ' LEU . 6.8 tttt -62.26 -41.8 98.77 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.62 -32.26 73.85 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -91.99 25.5 2.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.446 -0.783 . . . . 0.0 109.16 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.438 ' HG3' HD11 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -117.62 104.96 11.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.865 . . . . 0.0 109.667 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.493 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -124.88 -179.09 4.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.266 -1.137 . . . . 0.0 109.402 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.544 ' CZ ' ' HG2' ' D' ' 333' ' ' ARG . 6.3 m-85 -103.31 106.94 17.57 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.237 -0.914 . . . . 0.0 109.51 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 54.9 m-85 -96.59 169.4 9.91 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.22 -0.925 . . . . 0.0 109.155 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.08 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -136.55 133.28 36.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.192 -0.942 . . . . 0.0 109.989 -179.573 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.894 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.49 89.36 3.07 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.344 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.2 mt-30 -78.36 113.27 16.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.839 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -111.5 113.54 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 109.398 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.551 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 37.4 mtm180 -76.89 98.3 4.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.417 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 170.53 -118.8 0.77 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 5.1 ttm180 173.78 -66.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.366 -1.079 . . . . 0.0 109.213 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.13 -51.21 70.98 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.201 -0.937 . . . . 0.0 109.07 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' C' ' 340' ' ' MET . 8.6 mtm105 -56.23 -41.24 75.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.255 -0.903 . . . . 0.0 108.916 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.894 ' CE1' HD12 ' D' ' 330' ' ' LEU . 71.8 t80 -57.06 -42.01 79.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.322 -0.861 . . . . 0.0 108.871 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.423 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 17.8 mt-10 -60.22 -40.78 91.37 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 3.5 mtp -53.29 -50.28 65.22 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.599 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.3 m-85 -66.42 -26.08 67.05 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.567 -0.708 . . . . 0.0 109.103 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.423 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -63.55 -37.39 87.15 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.434 -0.791 . . . . 0.0 109.006 179.782 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 49.5 tp10 -70.51 -49.35 49.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 108.747 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.723 HD12 HD12 ' B' ' 344' ' ' LEU . 0.9 OUTLIER -60.01 -22.69 62.92 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.051 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.577 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.0 OUTLIER -87.42 -25.27 23.87 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' C' ' 350' ' ' LEU . 21.5 tp10 -72.19 -40.89 67.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.432 -0.793 . . . . 0.0 109.203 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.912 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -75.88 -45.49 35.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.309 -0.87 . . . . 0.0 109.38 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.54 HD11 ' CD1' ' B' ' 344' ' ' LEU . 80.0 mt -56.95 -51.82 67.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.022 -1.049 . . . . 0.0 108.94 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.79 -28.49 69.49 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.023 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -68.76 -29.86 68.34 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.447 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.734 ' HG3' HD22 ' B' ' 350' ' ' LEU . 6.7 tttt -61.9 -41.89 98.44 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.82 -32.21 73.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.412 -0.805 . . . . 0.0 108.909 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -91.92 25.74 2.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.454 -0.779 . . . . 0.0 109.304 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.454 ' HG3' HD11 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -118.02 105.48 11.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.896 . . . . 0.0 109.594 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.379 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -124.7 -179.42 4.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.291 -1.123 . . . . 0.0 109.482 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.551 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 6.3 m-85 -103.07 107.01 17.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.371 -0.831 . . . . 0.0 109.493 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 54.8 m-85 -96.74 169.11 10.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.925 . . . . 0.0 109.07 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.08 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -136.38 133.06 36.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.114 -0.992 . . . . 0.0 109.97 -179.503 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.894 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.13 89.35 3.07 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.495 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.2 mt-30 -78.43 112.97 16.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.258 -0.901 . . . . 0.0 109.815 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -111.06 113.74 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.326 -0.859 . . . . 0.0 109.399 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.544 ' HG2' ' CZ ' ' C' ' 327' ' ' TYR . 36.6 mtm180 -77.09 98.61 5.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.147 -0.971 . . . . 0.0 109.501 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 170.08 -119.03 0.79 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.588 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 5.1 ttm180 174.21 -66.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -1.098 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.12 -50.95 72.08 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.296 -0.878 . . . . 0.0 109.256 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' D' ' 340' ' ' MET . 8.7 mtm105 -56.44 -41.14 75.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.211 -0.93 . . . . 0.0 108.976 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.894 ' CE1' HD12 ' C' ' 330' ' ' LEU . 72.3 t80 -57.15 -41.95 80.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.3 -0.875 . . . . 0.0 108.817 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' D' ' 342' ' ' ARG . 17.8 mt-10 -60.13 -40.99 91.72 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.496 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.6 mtp -53.14 -50.37 64.67 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.595 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.3 m-85 -66.37 -26.15 67.13 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.549 -0.72 . . . . 0.0 109.072 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -63.47 -37.23 86.49 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.326 -0.859 . . . . 0.0 109.03 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.462 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 49.4 tp10 -70.52 -49.66 45.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.272 -0.892 . . . . 0.0 108.694 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.72 HD12 HD12 ' A' ' 344' ' ' LEU . 0.8 OUTLIER -60.02 -22.67 62.91 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.568 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.0 OUTLIER -87.2 -25.45 24.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' D' ' 350' ' ' LEU . 21.3 tp10 -71.82 -41.11 68.61 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.338 -0.851 . . . . 0.0 109.205 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.974 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -75.37 -47.16 28.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.291 -0.881 . . . . 0.0 109.391 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 344' ' ' LEU . 78.8 mt -55.44 -52.03 64.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.083 -1.01 . . . . 0.0 108.967 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.97 -28.37 69.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.288 -0.883 . . . . 0.0 108.761 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.038 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -69.05 -29.46 67.6 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.407 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.725 ' HG3' HD22 ' A' ' 350' ' ' LEU . 6.8 tttt -62.17 -41.8 98.67 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.87 -31.95 73.42 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.425 -0.797 . . . . 0.0 108.853 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.26 25.42 2.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.352 -0.842 . . . . 0.0 109.322 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.478 ' HG3' HD11 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -118.02 105.49 11.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.253 -0.904 . . . . 0.0 109.619 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.414 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -99.91 -169.51 1.75 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -1.15 . . . . 0.0 109.171 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 5.2 m-85 -115.2 108.61 16.82 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.29 -0.881 . . . . 0.0 109.21 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 44.0 m-85 -97.55 174.43 6.66 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.224 -0.922 . . . . 0.0 108.661 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.129 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -136.9 133.77 36.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.105 -0.997 . . . . 0.0 109.732 -179.539 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.895 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -114.64 97.15 6.11 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.661 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.703 ' HG2' HG23 ' B' ' 329' ' ' THR . 78.3 mt-30 -88.24 112.05 22.35 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.33 -0.856 . . . . 0.0 108.882 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 338' ' ' PHE . 3.2 mt -107.27 113.77 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.433 -0.792 . . . . 0.0 110.008 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.501 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 9.7 ttp180 -77.96 91.31 4.2 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.238 -0.914 . . . . 0.0 108.765 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.67 -130.9 1.74 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -173.1 -48.62 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.35 -1.088 . . . . 0.0 108.865 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.28 -31.93 55.17 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.268 -0.895 . . . . 0.0 108.913 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.702 ' HD3' HD22 ' B' ' 348' ' ' LEU . 8.2 mtm-85 -72.36 -45.88 57.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.221 -0.925 . . . . 0.0 108.6 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.882 ' CE1' HD12 ' B' ' 330' ' ' LEU . 49.9 t80 -62.06 -30.2 70.82 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.218 -0.926 . . . . 0.0 108.603 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.35 -45.33 66.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.23 -0.919 . . . . 0.0 108.9 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.414 ' SD ' ' CD ' ' C' ' 343' ' ' GLU . 6.4 mtp -49.5 -47.49 48.65 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.994 0.902 . . . . 0.0 109.219 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.564 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.2 m-85 -66.72 -39.29 87.95 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.868 0.842 . . . . 0.0 108.963 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 1.8 ttp85 -50.42 -32.46 17.79 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.27 -60.54 2.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.481 -0.762 . . . . 0.0 109.785 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.693 ' CD1' HD11 ' D' ' 348' ' ' LEU . 1.4 mm? -57.17 -63.19 1.3 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.955 -1.09 . . . . 0.0 108.638 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 21.5 t-20 -44.85 -30.88 1.06 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.586 -0.696 . . . . 0.0 109.342 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 8.0 mm-40 -69.34 -49.09 58.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.169 -0.957 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.642 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -60.69 -44.75 96.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.151 -0.968 . . . . 0.0 109.836 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.676 HD11 ' CD1' ' D' ' 344' ' ' LEU . 60.9 mt -55.75 -51.76 66.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.969 . . . . 0.0 108.54 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.96 -25.56 65.3 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.95 ' CD1' HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.58 -31.92 67.49 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.1 -1.0 . . . . 0.0 108.514 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.49 ' HA ' ' HG3' ' A' ' 354' ' ' GLN . 23.0 tttm -63.02 -40.1 96.75 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.96 -25.58 61.92 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.18 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -87.93 -13.7 41.17 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.303 -0.873 . . . . 0.0 109.868 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.581 ' CD ' HD13 ' D' ' 350' ' ' LEU . 2.1 mt-30 -44.01 128.4 5.72 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.374 -0.829 . . . . 0.0 109.851 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.503 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -99.28 -168.71 1.65 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.246 -1.149 . . . . 0.0 109.397 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.501 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 4.9 m-85 -116.12 104.69 11.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.216 -0.927 . . . . 0.0 109.691 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 46.9 m-85 -95.29 169.09 10.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.064 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.129 HG22 HG22 ' A' ' 329' ' ' THR . 0.3 OUTLIER -131.21 140.34 49.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.263 -0.898 . . . . 0.0 109.691 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.882 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -120.34 90.51 3.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.355 -0.841 . . . . 0.0 108.791 179.437 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.611 ' HG2' HG23 ' A' ' 329' ' ' THR . 74.5 mt-30 -82.09 112.01 18.75 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.86 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' B' ' 338' ' ' PHE . 3.2 mt -106.46 114.99 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.329 -0.857 . . . . 0.0 109.527 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.526 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 9.7 ttp180 -79.37 90.38 5.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 0.0 108.976 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.14 -129.68 1.51 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -173.16 -49.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -1.053 . . . . 0.0 108.923 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.0 -31.54 59.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.331 -0.856 . . . . 0.0 109.004 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.612 ' HD3' HD22 ' A' ' 348' ' ' LEU . 6.8 mtm-85 -72.82 -46.37 53.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.363 -0.836 . . . . 0.0 108.946 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.895 ' CE1' HD12 ' A' ' 330' ' ' LEU . 49.9 t80 -61.76 -29.85 70.4 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.68 -47.01 62.07 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.427 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 7.0 mtp -48.89 -48.05 42.67 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.558 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.3 m-85 -66.05 -37.49 85.97 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 1.9 ttp85 -53.17 -28.79 28.16 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.4 tt0 -76.41 -63.07 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.459 -0.776 . . . . 0.0 109.102 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.684 ' CD1' HD11 ' C' ' 348' ' ' LEU . 1.7 mm? -54.13 -67.64 0.25 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.044 -1.035 . . . . 0.0 108.283 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 345' ' ' ASN . 21.9 t30 -41.56 -28.04 0.12 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.646 -0.659 . . . . 0.0 109.676 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 7.4 mm-40 -73.21 -48.3 36.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.187 -0.946 . . . . 0.0 109.449 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.639 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -60.89 -45.51 94.33 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.199 -0.938 . . . . 0.0 109.472 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.702 HD22 ' HD3' ' A' ' 337' ' ' ARG . 56.8 mt -55.21 -52.14 64.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.138 -0.976 . . . . 0.0 108.768 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.69 -26.36 65.52 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.282 -0.887 . . . . 0.0 108.697 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.945 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -70.26 -34.02 72.31 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.462 ' HA ' ' HG3' ' B' ' 354' ' ' GLN . 22.6 tttm -61.42 -39.41 90.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.421 -0.799 . . . . 0.0 108.877 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.11 -24.0 60.57 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.415 -0.803 . . . . 0.0 109.189 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.64 -12.28 40.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.317 -0.864 . . . . 0.0 109.417 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.581 ' CD ' HD13 ' C' ' 350' ' ' LEU . 2.2 mt-30 -45.6 129.17 8.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 0.0 109.631 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.424 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.36 -168.42 1.61 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.19 -1.182 . . . . 0.0 109.377 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' D' ' 333' ' ' ARG . 4.8 m-85 -116.57 104.42 11.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.156 -0.965 . . . . 0.0 109.572 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 47.2 m-85 -94.07 171.9 8.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.27 -0.894 . . . . 0.0 109.177 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -134.62 135.84 42.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.115 -0.991 . . . . 0.0 109.81 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.955 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -117.02 91.55 3.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.27 -0.894 . . . . 0.0 109.082 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.657 ' HG2' HG23 ' D' ' 329' ' ' THR . 74.6 mt-30 -82.83 112.37 19.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.375 -0.828 . . . . 0.0 109.61 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' C' ' 338' ' ' PHE . 3.2 mt -107.0 114.71 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.383 -0.823 . . . . 0.0 109.633 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' D' ' 327' ' ' TYR . 10.2 ttp180 -78.51 90.5 4.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.255 -0.903 . . . . 0.0 109.262 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.2 -130.71 1.73 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -171.54 -49.08 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.333 -1.098 . . . . 0.0 109.034 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.14 -31.82 58.79 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.349 -0.845 . . . . 0.0 109.023 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.601 ' HD3' HD22 ' D' ' 348' ' ' LEU . 6.8 mtm-85 -72.69 -46.05 55.69 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.287 -0.883 . . . . 0.0 108.739 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.937 ' CE1' HD12 ' D' ' 330' ' ' LEU . 49.5 t80 -61.99 -30.35 70.88 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.22 -46.87 63.61 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.3 mtp -48.71 -48.18 40.6 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.555 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.3 m-85 -65.99 -37.61 86.39 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 ttp85 -53.0 -27.92 21.49 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.3 tt0 -77.53 -62.8 1.54 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.638 ' CD1' HD11 ' B' ' 348' ' ' LEU . 1.5 mm? -54.03 -68.09 0.21 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.064 -1.022 . . . . 0.0 108.308 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' C' ' 345' ' ' ASN . 22.0 t30 -41.14 -29.44 0.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.652 -0.655 . . . . 0.0 109.927 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 7.7 mm-40 -72.15 -48.32 44.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.151 -0.968 . . . . 0.0 109.775 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.636 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -61.44 -42.43 98.75 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.297 -0.877 . . . . 0.0 109.362 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' B' ' 344' ' ' LEU . 60.4 mt -58.14 -51.89 67.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.039 -1.038 . . . . 0.0 108.682 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.5 -26.2 65.09 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.305 -0.872 . . . . 0.0 108.787 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.945 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -70.48 -33.2 70.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.514 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.469 ' HA ' ' HG3' ' C' ' 354' ' ' GLN . 23.0 tttm -62.12 -38.97 90.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.475 -0.766 . . . . 0.0 108.986 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.3 -23.99 60.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.324 -0.86 . . . . 0.0 109.054 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.61 -12.77 38.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 0.0 109.472 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.619 ' CD ' HD13 ' B' ' 350' ' ' LEU . 2.2 mt-30 -45.29 129.23 8.08 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.325 -0.859 . . . . 0.0 109.739 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.568 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.5 -168.58 1.63 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -1.121 . . . . 0.0 109.364 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' C' ' 333' ' ' ARG . 4.8 m-85 -116.36 104.88 11.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.139 -0.975 . . . . 0.0 109.657 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 47.8 m-85 -94.55 171.6 8.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -0.924 . . . . 0.0 109.105 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -134.34 136.22 43.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.221 -0.924 . . . . 0.0 109.834 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.937 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -117.3 91.7 3.65 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.382 -0.824 . . . . 0.0 109.064 179.552 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.664 ' HG2' HG23 ' C' ' 329' ' ' THR . 74.4 mt-30 -82.85 112.61 19.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.249 -0.907 . . . . 0.0 109.629 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' D' ' 338' ' ' PHE . 3.2 mt -107.1 114.59 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.285 -0.885 . . . . 0.0 109.614 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.559 ' HB2' ' CE1' ' C' ' 327' ' ' TYR . 10.0 ttp180 -78.43 90.86 4.45 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.249 -0.907 . . . . 0.0 109.356 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.89 -130.38 1.69 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -171.87 -48.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -1.119 . . . . 0.0 109.08 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.24 -31.63 58.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.419 -0.8 . . . . 0.0 109.075 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.607 ' HD3' HD22 ' C' ' 348' ' ' LEU . 6.9 mtm-85 -72.77 -46.05 55.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.295 -0.878 . . . . 0.0 108.762 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.955 ' CE1' HD12 ' C' ' 330' ' ' LEU . 50.5 t80 -62.03 -30.16 70.77 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.267 -0.896 . . . . 0.0 108.714 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.35 -46.78 63.46 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.245 -0.909 . . . . 0.0 108.689 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.416 ' HE1' ' HG2' ' B' ' 343' ' ' GLU . 7.2 mtp -48.93 -48.44 42.79 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.554 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.3 m-85 -65.6 -37.06 85.55 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 ttp85 -53.72 -28.02 31.63 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.3 tt0 -77.08 -63.05 1.45 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.477 -0.764 . . . . 0.0 109.099 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.676 ' CD1' HD11 ' A' ' 348' ' ' LEU . 1.5 mm? -54.25 -67.45 0.26 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.095 -1.003 . . . . 0.0 108.412 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.46 ' O ' ' OD1' ' D' ' 345' ' ' ASN . 22.9 t30 -41.48 -29.17 0.15 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.585 -0.697 . . . . 0.0 109.738 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 7.6 mm-40 -71.96 -48.54 44.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 109.595 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.645 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -60.77 -45.19 95.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.271 -0.893 . . . . 0.0 109.385 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.693 HD11 ' CD1' ' A' ' 344' ' ' LEU . 61.2 mt -55.6 -52.22 64.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.183 -0.948 . . . . 0.0 108.789 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.6 -26.63 65.61 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.95 HD11 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -69.86 -33.8 72.74 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 23.0 tttm -62.04 -38.68 89.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.477 -0.764 . . . . 0.0 108.956 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.84 -23.97 59.7 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.31 -0.868 . . . . 0.0 109.03 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 353' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' D' ' 354' ' ' GLN . . . -89.52 -13.17 37.99 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.332 -0.855 . . . . 0.0 109.491 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.648 ' CD ' HD13 ' A' ' 350' ' ' LEU . 2.4 mt-30 -45.47 129.53 8.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.313 -0.867 . . . . 0.0 109.733 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.391 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -136.43 -171.34 2.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.236 -1.155 . . . . 0.0 109.638 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' B' ' 333' ' ' ARG . 20.2 m-30 -114.37 126.3 54.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.265 -0.897 . . . . 0.0 109.546 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.614 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 74.3 m-85 -122.36 138.59 54.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.349 -0.844 . . . . 0.0 108.99 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.021 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -102.81 131.97 49.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.938 -1.101 . . . . 0.0 109.695 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.422 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.7 OUTLIER -114.54 96.32 5.69 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 54.5 tt0 -89.25 109.97 20.79 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.269 -0.895 . . . . 0.0 109.264 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 6.1 mt -110.01 127.87 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.395 -0.816 . . . . 0.0 109.755 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.544 ' HG2' ' CD1' ' B' ' 327' ' ' TYR . 23.4 mtm105 -89.98 107.02 18.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.315 -0.866 . . . . 0.0 109.008 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 171.98 -114.2 0.52 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 7.2 ttt180 164.08 -39.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.552 -0.969 . . . . 0.0 108.928 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -84.77 -47.21 10.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.993 ' CD ' HD13 ' B' ' 348' ' ' LEU . 2.2 mtm180 -61.51 -38.01 85.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.303 -0.873 . . . . 0.0 109.06 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.618 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 58.3 t80 -62.38 -30.89 71.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 108.93 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.24 -44.71 64.8 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.292 -0.88 . . . . 0.0 109.325 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.7 mtm -54.93 -46.03 74.9 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.485 -0.759 . . . . 0.0 109.655 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.58 ' HE1' HD11 ' C' ' 344' ' ' LEU . 5.1 m-30 -66.94 -38.87 86.94 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.723 0.773 . . . . 0.0 109.899 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 1.8 mtp180 -51.68 -38.66 55.96 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -73.83 -53.21 10.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.421 -0.799 . . . . 0.0 110.002 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.714 HD12 HD12 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -47.14 -60.6 2.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.193 -0.942 . . . . 0.0 109.661 -179.422 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.582 ' HA ' HD12 ' A' ' 348' ' ' LEU . 4.8 p30 -63.71 -22.74 67.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.13 -0.981 . . . . 0.0 109.862 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 343' ' ' GLU . 11.5 tt0 -61.67 -46.28 90.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.941 -1.1 . . . . 0.0 109.67 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.626 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -71.74 -46.59 58.07 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.209 -0.932 . . . . 0.0 109.969 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.958 HD13 ' CD ' ' B' ' 337' ' ' ARG . 50.8 mt -48.64 -50.92 30.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.137 -0.977 . . . . 0.0 108.788 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -35.03 74.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.117 -0.989 . . . . 0.0 108.551 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.035 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -61.59 -30.2 70.52 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.518 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 17.8 tttt -63.43 -45.16 92.23 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -15.19 62.41 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.491 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -101.24 -3.91 28.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.236 -0.915 . . . . 0.0 110.043 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.756 ' CD ' HD13 ' D' ' 350' ' ' LEU . 6.6 mt-30 -50.26 104.14 0.07 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.726 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.604 179.832 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -136.69 -172.36 3.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.237 -1.155 . . . . 0.0 109.646 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 333' ' ' ARG . 20.6 m-30 -113.59 126.56 55.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.618 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 74.1 m-85 -122.86 138.18 54.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.322 -0.861 . . . . 0.0 109.197 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.021 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -101.31 138.1 38.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.973 -1.079 . . . . 0.0 109.37 179.766 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.419 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -120.63 88.44 2.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 109.091 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 52.4 tt0 -81.39 110.87 17.22 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.242 -0.911 . . . . 0.0 110.084 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -110.89 127.99 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.315 -0.866 . . . . 0.0 109.082 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.585 ' HG2' ' CD1' ' A' ' 327' ' ' TYR . 24.2 mtm105 -90.7 105.79 18.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.335 -0.853 . . . . 0.0 109.212 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' B' ' 335' ' ' ARG . . . 172.88 -112.58 0.44 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' B' ' 334' ' ' GLY . 7.7 ttt180 162.95 -39.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.541 -0.976 . . . . 0.0 108.925 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -84.26 -46.61 11.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 0.0 109.323 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.958 ' CD ' HD13 ' A' ' 348' ' ' LEU . 2.6 mtm180 -61.92 -39.46 92.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.154 -0.966 . . . . 0.0 109.225 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.614 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 58.3 t80 -61.41 -29.76 70.14 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.28 -0.888 . . . . 0.0 109.093 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.59 -45.97 56.54 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.368 -0.832 . . . . 0.0 108.977 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 mtm -54.52 -47.61 72.93 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.266 -0.896 . . . . 0.0 108.965 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.571 ' HE1' HD11 ' D' ' 344' ' ' LEU . 5.2 m-30 -65.15 -38.69 91.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.732 . . . . 0.0 109.44 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 1.5 mtp180 -52.44 -36.63 55.05 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.327 -0.858 . . . . 0.0 109.317 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' B' ' 346' ' ' GLU . 0.4 OUTLIER -75.85 -52.27 10.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.504 -0.747 . . . . 0.0 109.873 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.729 HD12 HD12 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -47.66 -60.64 2.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.118 -0.989 . . . . 0.0 109.512 -179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.573 ' HA ' HD12 ' B' ' 348' ' ' LEU . 4.1 p30 -63.19 -22.34 66.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.21 -0.931 . . . . 0.0 109.8 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.468 ' HB3' ' O ' ' B' ' 343' ' ' GLU . 11.4 tt0 -62.4 -47.18 85.24 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.093 -1.005 . . . . 0.0 109.639 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.628 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -70.52 -48.19 56.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.164 -0.96 . . . . 0.0 109.644 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.993 HD13 ' CD ' ' A' ' 337' ' ' ARG . 57.2 mt -46.83 -51.94 15.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 109.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -36.39 76.96 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.304 -0.873 . . . . 0.0 108.658 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.051 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -59.22 -31.85 69.42 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.35 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.52 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 17.8 tttt -62.15 -44.52 96.43 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.39 -13.97 61.59 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.449 -0.782 . . . . 0.0 109.443 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.31 -3.41 27.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.221 -0.925 . . . . 0.0 109.775 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.732 ' CD ' HD13 ' C' ' 350' ' ' LEU . 6.1 mt-30 -51.01 104.49 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.235 -0.915 . . . . 0.0 109.709 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.005 -0.997 . . . . 0.0 109.482 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -136.46 -171.63 2.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.216 -1.167 . . . . 0.0 109.567 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' D' ' 333' ' ' ARG . 20.4 m-30 -114.1 126.53 55.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.395 -0.815 . . . . 0.0 109.518 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.604 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 75.5 m-85 -122.49 138.32 54.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.36 -0.837 . . . . 0.0 109.146 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.957 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -102.24 133.91 46.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.051 -1.031 . . . . 0.0 109.686 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.443 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.7 OUTLIER -116.96 90.51 3.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.359 -0.838 . . . . 0.0 109.188 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 53.1 tt0 -83.17 111.3 18.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.282 -0.887 . . . . 0.0 109.851 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.33 127.77 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.301 -0.875 . . . . 0.0 109.273 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.57 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 24.8 mtm105 -90.25 106.5 18.53 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.471 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 171.93 -113.04 0.47 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 7.1 ttt180 163.83 -39.9 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.436 -1.037 . . . . 0.0 108.937 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -83.8 -47.25 11.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.365 -0.834 . . . . 0.0 109.336 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.938 ' CD ' HD13 ' D' ' 348' ' ' LEU . 2.5 mtm180 -61.48 -38.98 89.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.314 -0.866 . . . . 0.0 109.262 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.618 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 59.0 t80 -61.67 -30.39 70.7 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.149 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -71.8 -45.41 61.63 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 109.093 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 mtm -55.1 -45.64 75.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.331 -0.855 . . . . 0.0 109.006 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.568 ' HE1' HD11 ' A' ' 344' ' ' LEU . 5.2 m-30 -66.77 -38.64 86.99 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.406 -0.809 . . . . 0.0 109.482 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 mtp180 -52.27 -36.02 51.61 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.315 -0.866 . . . . 0.0 109.375 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -76.59 -52.66 9.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.308 -0.87 . . . . 0.0 109.698 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.729 HD12 HD12 ' B' ' 344' ' ' LEU . 0.5 OUTLIER -47.2 -61.45 1.89 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.315 -0.865 . . . . 0.0 109.424 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.583 ' HA ' HD12 ' C' ' 348' ' ' LEU . 5.0 p30 -63.08 -22.46 66.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.06 -1.025 . . . . 0.0 110.045 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.468 ' HB3' ' O ' ' C' ' 343' ' ' GLU . 11.8 tt0 -62.26 -46.85 86.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.98 -1.075 . . . . 0.0 109.586 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.697 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -70.47 -47.46 60.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.614 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.958 HD13 ' CD ' ' D' ' 337' ' ' ARG . 56.5 mt -47.91 -52.1 20.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.023 -1.048 . . . . 0.0 109.118 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -36.34 76.21 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.051 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -59.61 -31.17 69.24 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.49 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.51 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 18.0 tttt -62.67 -44.27 96.69 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -13.81 61.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.411 -0.806 . . . . 0.0 109.402 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.43 -3.09 27.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 109.741 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.771 ' CD ' HD13 ' B' ' 350' ' ' LEU . 6.2 mt-30 -51.49 104.7 0.09 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.946 . . . . 0.0 109.733 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.506 179.852 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -136.53 -171.49 2.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.216 -1.167 . . . . 0.0 109.583 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' C' ' 333' ' ' ARG . 20.4 m-30 -114.28 126.6 55.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.618 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 76.5 m-85 -122.58 138.43 54.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.279 -0.888 . . . . 0.0 109.118 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.957 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -102.13 134.61 45.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.081 -1.012 . . . . 0.0 109.597 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.431 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.7 OUTLIER -117.66 90.44 3.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.886 . . . . 0.0 109.122 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 53.2 tt0 -82.9 111.13 18.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.327 -0.858 . . . . 0.0 109.86 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.12 127.82 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 0.0 109.349 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.579 ' HG2' ' CD1' ' C' ' 327' ' ' TYR . 24.6 mtm105 -90.28 106.63 18.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 0.0 109.406 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 171.74 -112.87 0.46 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 7.2 ttt180 163.67 -40.11 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.47 -1.018 . . . . 0.0 108.916 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -83.75 -47.16 11.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.241 -0.912 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.958 ' CD ' HD13 ' C' ' 348' ' ' LEU . 2.5 mtm180 -61.53 -38.91 89.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.213 -0.929 . . . . 0.0 109.216 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.604 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 58.6 t80 -61.75 -30.48 70.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.287 -0.883 . . . . 0.0 109.039 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -71.69 -45.54 61.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.37 -0.831 . . . . 0.0 109.07 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.8 mtm -55.05 -45.49 75.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.331 -0.855 . . . . 0.0 109.139 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.571 ' HE1' HD11 ' B' ' 344' ' ' LEU . 5.2 m-30 -66.86 -38.79 87.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.816 . . . . 0.0 109.32 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 mtp180 -52.18 -35.91 50.27 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.385 -0.822 . . . . 0.0 109.453 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -76.73 -52.1 10.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.303 -0.873 . . . . 0.0 109.632 -179.83 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -47.82 -61.37 1.98 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.91 . . . . 0.0 109.549 -179.646 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.582 ' HA ' HD12 ' D' ' 348' ' ' LEU . 4.9 p30 -63.11 -22.06 66.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.163 -0.96 . . . . 0.0 110.009 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 11.6 tt0 -62.46 -47.04 85.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.084 -1.01 . . . . 0.0 109.468 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.722 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -70.4 -47.74 59.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 109.643 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.938 HD13 ' CD ' ' C' ' 337' ' ' ARG . 57.4 mt -47.48 -51.93 18.83 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.146 -0.971 . . . . 0.0 109.104 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -36.54 77.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 0.0 108.722 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.035 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -59.29 -31.42 69.11 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.385 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.511 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 18.4 tttt -62.59 -44.47 96.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.436 -0.79 . . . . 0.0 108.952 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.31 -14.08 61.65 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.452 -0.78 . . . . 0.0 109.283 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.19 -3.12 27.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 0.0 109.786 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.768 ' CD ' HD13 ' A' ' 350' ' ' LEU . 6.2 mt-30 -51.51 104.61 0.08 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.118 -0.989 . . . . 0.0 109.746 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.491 179.859 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -137.49 -169.43 2.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -1.144 . . . . 0.0 109.397 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.584 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -99.55 111.5 23.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.171 -0.956 . . . . 0.0 109.593 -179.738 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' B' ' 335' ' ' ARG . 52.3 m-85 -104.29 161.86 13.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -0.915 . . . . 0.0 109.495 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.126 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -120.52 132.64 55.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.211 -0.931 . . . . 0.0 109.873 -179.659 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.504 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -113.26 94.76 5.03 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 178.001 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.682 ' HG2' HG23 ' B' ' 329' ' ' THR . 27.3 mt-30 -86.93 119.55 27.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 109.034 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.487 HG12 ' OD1' ' B' ' 345' ' ' ASN . 4.8 mt -126.4 126.4 69.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.423 -0.798 . . . . 0.0 109.626 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.586 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 2.8 mtm105 -79.94 138.5 37.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.256 -0.903 . . . . 0.0 109.064 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 132.91 -131.92 6.35 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.572 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER 178.35 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.439 -1.036 . . . . 0.0 108.902 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -41.45 81.31 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.295 -0.878 . . . . 0.0 108.917 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.412 ' HD3' HD22 ' B' ' 348' ' ' LEU . 30.0 mtm180 -67.31 -39.58 85.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.329 -0.857 . . . . 0.0 108.791 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.503 ' CZ ' ' HG ' ' B' ' 330' ' ' LEU . 53.5 t80 -61.21 -30.79 70.64 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -72.61 -39.11 67.53 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.38 -0.825 . . . . 0.0 109.218 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.466 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 10.1 mtp -57.78 -54.34 48.01 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.93 0.871 . . . . 0.0 109.49 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CE1' HD11 ' C' ' 344' ' ' LEU . 9.5 m-85 -63.14 -36.38 83.44 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.598 0.713 . . . . 0.0 109.465 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -40.02 67.97 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.94 -43.89 82.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.399 -0.813 . . . . 0.0 109.018 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.872 HD12 HD12 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -61.7 -26.97 68.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.169 -0.957 . . . . 0.0 109.118 179.704 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.458 ' OD1' HG12 ' B' ' 332' ' ' ILE . 1.1 m-80 -84.86 -19.49 32.31 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.184 -0.948 . . . . 0.0 108.935 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -71.83 -45.31 61.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.518 -0.739 . . . . 0.0 109.051 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.691 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -74.11 -48.79 27.22 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.324 -0.86 . . . . 0.0 109.269 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.799 HD23 ' HB2' ' D' ' 347' ' ' ALA . 66.2 mt -52.26 -51.92 55.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 108.804 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -60.15 -31.55 70.2 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.293 -0.879 . . . . 0.0 108.649 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.005 ' CD1' HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -65.38 -31.18 72.15 Favored 'General case' 0 C--N 1.311 -1.095 0 O-C-N 120.959 -1.088 . . . . 0.0 108.397 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.439 ' CA ' HD21 ' D' ' 350' ' ' LEU . 7.1 ttpp -66.06 -40.13 90.66 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.96 -38.08 69.89 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 355' ' ' ALA . . . -81.62 -95.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.414 -0.804 . . . . 0.0 109.31 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.867 ' NE2' HD13 ' D' ' 350' ' ' LEU . 0.7 OUTLIER 44.41 25.72 0.14 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.252 -0.905 . . . . 0.0 109.665 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.478 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -137.34 -169.89 2.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.218 -1.166 . . . . 0.0 109.492 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -99.06 112.2 24.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 109.554 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 52.1 m-85 -105.55 160.65 15.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.199 -0.938 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.126 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.85 141.68 48.15 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 0.0 109.225 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.503 ' HG ' ' CZ ' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -122.37 81.37 1.83 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.538 ' HG2' HG23 ' A' ' 329' ' ' THR . 32.1 mt-30 -74.21 122.34 22.65 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.354 -0.841 . . . . 0.0 110.104 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.458 HG12 ' OD1' ' A' ' 345' ' ' ASN . 4.5 mt -129.14 126.91 65.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.419 -0.801 . . . . 0.0 108.853 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 2.7 mtm105 -81.36 138.07 35.67 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.23 -0.919 . . . . 0.0 109.251 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 132.65 -131.32 6.14 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER 178.48 -50.12 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -1.065 . . . . 0.0 108.907 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -41.31 82.53 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.337 -0.852 . . . . 0.0 109.059 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -67.33 -41.22 85.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.313 -0.867 . . . . 0.0 108.923 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.504 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 52.8 t80 -59.59 -31.0 69.06 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.09 -39.74 65.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.364 -0.835 . . . . 0.0 108.751 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.447 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 10.6 mtp -57.61 -55.33 36.27 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.337 -0.852 . . . . 0.0 108.901 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 344' ' ' LEU . 12.8 m-85 -62.59 -34.71 77.55 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.465 -0.772 . . . . 0.0 109.233 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -41.32 72.92 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.275 -0.891 . . . . 0.0 108.819 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.3 -43.19 91.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.41 -0.806 . . . . 0.0 109.184 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.865 HD12 HD12 ' C' ' 344' ' ' LEU . 0.8 OUTLIER -62.91 -25.32 68.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.283 -0.886 . . . . 0.0 108.877 179.751 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.487 ' OD1' HG12 ' A' ' 332' ' ' ILE . 1.1 m-80 -86.72 -17.96 32.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 108.83 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -73.12 -45.6 55.98 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.721 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -73.41 -49.52 26.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.331 -0.856 . . . . 0.0 109.164 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.778 HD23 ' HB2' ' C' ' 347' ' ' ALA . 58.5 mt -52.05 -51.33 58.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.065 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -60.74 -33.32 72.75 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.279 -0.888 . . . . 0.0 108.776 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.002 ' CD1' HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -63.21 -32.43 73.82 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.449 ' CA ' HD21 ' C' ' 350' ' ' LEU . 7.1 ttpp -65.63 -40.18 92.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.423 -0.798 . . . . 0.0 108.873 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.03 -35.16 66.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.385 -0.822 . . . . 0.0 108.926 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' B' ' 355' ' ' ALA . . . -84.99 -94.05 0.08 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.445 -0.784 . . . . 0.0 109.251 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.892 ' NE2' HD13 ' C' ' 350' ' ' LEU . 1.1 mt-30 42.4 27.2 0.08 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 0.0 109.707 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.533 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -136.98 -169.42 2.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.331 -1.099 . . . . 0.0 109.498 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 0.2 OUTLIER -99.47 111.33 23.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.195 -0.941 . . . . 0.0 109.53 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CZ ' ' HD2' ' D' ' 335' ' ' ARG . 51.8 m-85 -104.05 161.93 13.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.246 -0.909 . . . . 0.0 109.575 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.032 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -120.17 135.67 54.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.209 -0.932 . . . . 0.0 109.773 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.491 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -116.77 84.42 2.14 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.388 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.611 ' HG2' HG23 ' D' ' 329' ' ' THR . 30.6 mt-30 -76.73 122.11 24.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.308 -0.87 . . . . 0.0 109.911 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.46 HG12 ' OD1' ' D' ' 345' ' ' ASN . 4.5 mt -129.22 125.95 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.395 -0.816 . . . . 0.0 109.162 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.565 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 2.7 mtm105 -80.05 137.8 36.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.178 -0.952 . . . . 0.0 109.588 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 132.59 -131.37 6.17 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.498 ' HD2' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER 179.0 -50.82 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.354 -1.086 . . . . 0.0 109.094 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -41.64 84.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 0.0 108.989 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.405 ' HD3' HD22 ' D' ' 348' ' ' LEU . 27.8 mtm180 -67.2 -40.82 86.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.253 -0.904 . . . . 0.0 109.0 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.49 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 53.2 t80 -59.92 -31.43 69.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.232 -0.918 . . . . 0.0 108.695 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.3 -39.82 67.99 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.466 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 11.0 mtp -57.58 -55.08 39.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.455 -0.778 . . . . 0.0 109.021 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' D' ' 344' ' ' LEU . 12.8 m-85 -62.56 -34.62 77.32 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.397 -0.814 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -40.92 72.51 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.249 -0.907 . . . . 0.0 108.898 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.55 -43.19 90.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.284 -0.885 . . . . 0.0 109.05 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.865 HD12 HD12 ' B' ' 344' ' ' LEU . 0.5 OUTLIER -63.21 -25.23 68.24 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.369 -0.832 . . . . 0.0 108.998 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.482 ' OD1' HG12 ' D' ' 332' ' ' ILE . 1.1 m-80 -86.86 -18.46 30.86 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -73.11 -45.7 55.49 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.405 -0.81 . . . . 0.0 108.993 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.778 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -73.16 -48.07 38.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.355 -0.841 . . . . 0.0 109.106 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.721 HD23 ' HB2' ' B' ' 347' ' ' ALA . 59.8 mt -53.71 -51.81 62.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.182 -0.949 . . . . 0.0 108.961 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -60.14 -33.05 71.63 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.237 -0.914 . . . . 0.0 108.677 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.002 HD11 ' CD1' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -63.44 -32.67 74.18 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.525 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.457 ' CA ' HD21 ' B' ' 350' ' ' LEU . 7.2 ttpp -65.36 -40.02 93.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.413 -0.805 . . . . 0.0 108.889 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.14 -35.09 66.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.386 -0.822 . . . . 0.0 108.959 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 353' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' C' ' 355' ' ' ALA . . . -85.18 -93.87 0.08 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.372 -0.83 . . . . 0.0 109.27 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.9 ' NE2' HD13 ' B' ' 350' ' ' LEU . 1.1 mt-30 42.45 26.95 0.07 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.0 109.7 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' C' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 118.091 -0.956 . . . . 0.0 109.46 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -137.21 -169.72 2.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.275 -1.132 . . . . 0.0 109.516 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.565 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 0.2 OUTLIER -99.4 111.67 23.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.911 . . . . 0.0 109.519 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.498 ' CZ ' ' HD2' ' C' ' 335' ' ' ARG . 51.5 m-85 -104.51 162.37 13.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.307 -0.871 . . . . 0.0 109.381 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.032 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -120.71 135.77 55.04 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.28 -0.887 . . . . 0.0 109.668 -179.816 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.49 ' HG ' ' CZ ' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -116.81 84.42 2.14 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 108.675 179.451 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.599 ' HG2' HG23 ' C' ' 329' ' ' THR . 30.5 mt-30 -76.54 122.06 24.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.306 -0.871 . . . . 0.0 109.883 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.482 HG12 ' OD1' ' C' ' 345' ' ' ASN . 4.5 mt -129.29 125.79 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.084 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.55 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 2.7 mtm105 -79.91 137.93 37.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.185 -0.947 . . . . 0.0 109.748 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 132.39 -131.45 6.24 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.512 ' HD2' ' CZ ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER 179.27 -50.77 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.367 -1.078 . . . . 0.0 109.123 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -41.98 84.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.374 -0.829 . . . . 0.0 109.04 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.432 ' HD3' HD22 ' C' ' 348' ' ' LEU . 27.4 mtm180 -66.78 -40.75 88.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.292 -0.88 . . . . 0.0 109.061 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.491 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 53.0 t80 -60.34 -30.93 69.84 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.243 -0.911 . . . . 0.0 108.636 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.68 -39.3 67.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.383 -0.823 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.447 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 10.5 mtp -58.21 -55.1 39.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.359 -0.838 . . . . 0.0 108.949 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' C' ' 344' ' ' LEU . 12.6 m-85 -62.5 -34.4 76.8 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.522 -0.736 . . . . 0.0 109.227 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -40.56 73.15 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.259 -0.901 . . . . 0.0 108.944 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.29 -42.12 88.83 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.425 -0.797 . . . . 0.0 109.192 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.872 HD12 HD12 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -64.07 -25.21 68.0 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 108.931 179.671 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.46 ' OD1' HG12 ' C' ' 332' ' ' ILE . 1.1 m-80 -86.68 -18.08 32.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.244 -0.91 . . . . 0.0 108.819 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.22 -45.73 54.39 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.799 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -72.83 -49.68 28.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.343 -0.848 . . . . 0.0 109.033 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.691 HD23 ' HB2' ' A' ' 347' ' ' ALA . 60.1 mt -51.97 -51.65 55.72 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.261 -0.899 . . . . 0.0 109.071 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -60.61 -33.14 72.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.275 -0.891 . . . . 0.0 108.809 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.005 HD11 ' CD1' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -63.45 -32.2 73.57 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.445 ' CA ' HD21 ' A' ' 350' ' ' LEU . 7.3 ttpp -65.83 -39.84 91.21 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.383 -0.823 . . . . 0.0 108.945 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.4 -34.85 67.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.344 -0.848 . . . . 0.0 108.903 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 353' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' D' ' 354' ' ' GLN . . . -85.41 -94.1 0.08 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.37 -0.831 . . . . 0.0 109.333 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.947 ' NE2' HD13 ' A' ' 350' ' ' LEU . 1.2 mt-30 42.03 27.63 0.08 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 109.725 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' D' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -132.29 -170.91 2.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.313 -1.11 . . . . 0.0 109.504 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -102.56 120.42 40.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 109.567 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.507 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 47.1 m-85 -108.26 140.51 41.4 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.22 -0.925 . . . . 0.0 109.27 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.85 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -99.47 130.22 45.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.88 . . . . 0.0 109.733 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.734 HD21 ' ND2' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -114.4 94.75 4.93 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.483 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 10.8 tt0 -89.18 109.38 20.25 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.253 -0.905 . . . . 0.0 108.912 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.06 134.17 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.768 . . . . 0.0 109.623 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -84.18 129.21 34.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 109.224 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 137.4 -126.55 3.67 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 3.8 ttt180 176.42 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.412 -1.052 . . . . 0.0 109.07 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.79 -36.81 50.01 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.328 -0.857 . . . . 0.0 109.127 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.69 ' HD2' HD13 ' B' ' 348' ' ' LEU . 24.4 mtm-85 -70.3 -32.41 70.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.253 -0.904 . . . . 0.0 108.805 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 81.1 t80 -67.15 -32.26 73.24 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.19 -0.944 . . . . 0.0 108.527 179.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 18.6 mt-10 -75.11 -36.42 61.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 0.0 108.737 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.509 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 4.4 mtp -55.07 -51.96 64.7 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 122.054 0.93 . . . . 0.0 109.179 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.735 ' HE1' HD11 ' C' ' 344' ' ' LEU . 10.5 m-30 -65.83 -44.29 86.0 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.481 -0.762 . . . . 0.0 109.269 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.484 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 0.4 OUTLIER -44.22 -33.85 1.69 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.521 ' HG2' ' HE1' ' C' ' 340' ' ' MET . 4.0 tt0 -75.55 -44.13 44.98 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.664 -0.814 . . . . 0.0 108.808 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' D' ' 344' ' ' LEU . 1.1 mm? -57.64 -61.77 2.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.25 -0.906 . . . . 0.0 109.273 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.654 ' ND2' HD21 ' B' ' 330' ' ' LEU . 24.4 p-10 -60.08 -19.15 51.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -0.957 . . . . 0.0 109.22 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 0.2 OUTLIER -64.06 -47.59 79.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.052 -1.03 . . . . 0.0 109.548 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.871 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -71.37 -46.11 61.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.269 -0.895 . . . . 0.0 110.003 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 1.01 HD23 ' HB2' ' D' ' 347' ' ' ALA . 58.6 mt -52.59 -47.73 66.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.972 -1.08 . . . . 0.0 108.674 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.39 -32.25 72.18 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.107 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.03 -28.71 69.67 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.426 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 23.1 ttpt -65.44 -40.66 93.55 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.75 -38.46 85.23 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.093 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.68 -14.42 59.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.181 -0.949 . . . . 0.0 109.522 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.501 ' OE1' ' HG2' ' D' ' 354' ' ' GLN . 0.0 OUTLIER -69.42 147.17 51.34 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.479 -0.763 . . . . 0.0 109.465 179.764 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.487 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.62 -170.51 2.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.278 -1.131 . . . . 0.0 109.473 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -103.02 120.65 41.03 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.155 -0.966 . . . . 0.0 109.483 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 46.2 m-85 -108.88 138.98 44.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.331 -0.856 . . . . 0.0 109.533 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.85 HG22 HG22 ' A' ' 329' ' ' THR . 0.1 OUTLIER -96.34 137.88 34.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.0 109.278 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.654 HD21 ' ND2' ' A' ' 345' ' ' ASN . 0.3 OUTLIER -122.04 83.96 2.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.356 -0.84 . . . . 0.0 108.877 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 12.9 tt0 -79.4 109.4 13.72 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.292 -0.88 . . . . 0.0 110.022 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.36 133.82 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.308 -0.87 . . . . 0.0 109.262 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -84.24 129.08 34.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 137.19 -126.43 3.67 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 3.7 ttt180 176.72 -42.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -1.126 . . . . 0.0 109.131 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -77.35 -35.99 54.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.351 -0.843 . . . . 0.0 109.261 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.6 ' HD2' HD13 ' A' ' 348' ' ' LEU . 26.4 mtm-85 -70.92 -34.1 71.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.12 -0.987 . . . . 0.0 109.045 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.496 ' CD1' HD12 ' A' ' 330' ' ' LEU . 81.8 t80 -66.05 -30.88 71.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.921 . . . . 0.0 108.528 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 17.6 mt-10 -76.73 -37.4 56.09 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.528 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 4.1 mtp -54.85 -52.78 61.72 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.692 ' HE1' HD11 ' D' ' 344' ' ' LEU . 11.2 m-30 -65.63 -43.68 88.76 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.415 -0.803 . . . . 0.0 108.863 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.464 ' O ' ' OD1' ' B' ' 345' ' ' ASN . 0.6 OUTLIER -44.51 -31.87 1.24 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.4 -0.812 . . . . 0.0 108.941 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.505 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 4.2 tt0 -77.34 -43.51 32.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.422 -0.799 . . . . 0.0 108.849 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' C' ' 344' ' ' LEU . 1.5 mm? -57.63 -64.18 0.99 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 108.703 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.734 ' ND2' HD21 ' A' ' 330' ' ' LEU . 27.6 p-10 -58.07 -16.63 13.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.447 -0.783 . . . . 0.0 109.45 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 0.2 OUTLIER -67.87 -46.63 71.16 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.219 -0.926 . . . . 0.0 109.338 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.968 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -71.55 -46.92 58.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.992 HD23 ' HB2' ' C' ' 347' ' ' ALA . 62.5 mt -51.79 -48.45 63.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.187 -0.946 . . . . 0.0 109.039 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.97 -34.07 74.19 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.28 -0.887 . . . . 0.0 108.649 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.054 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -62.15 -30.77 71.27 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.459 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 23.0 ttpt -63.4 -40.57 97.58 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.23 -37.48 83.19 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.411 -0.806 . . . . 0.0 109.153 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.87 -14.96 59.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.235 -0.915 . . . . 0.0 109.206 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.547 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -69.82 148.76 48.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 0.0 109.474 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 118.118 -0.944 . . . . 0.0 109.499 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.48 -170.55 2.45 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.27 -1.135 . . . . 0.0 109.473 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -102.9 120.64 40.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.212 -0.93 . . . . 0.0 109.445 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 46.1 m-85 -108.56 139.43 43.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.217 -0.927 . . . . 0.0 109.52 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.79 HG22 HG22 ' D' ' 329' ' ' THR . 0.1 OUTLIER -97.47 133.23 42.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.651 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.716 HD21 ' ND2' ' D' ' 345' ' ' ASN . 0.3 OUTLIER -117.84 86.9 2.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.388 -0.82 . . . . 0.0 109.031 179.581 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.7 tt0 -82.01 109.52 16.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.302 -0.874 . . . . 0.0 109.693 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -107.39 134.57 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.884 . . . . 0.0 109.188 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -84.43 128.93 34.86 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.231 -0.918 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 137.13 -126.24 3.62 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 3.4 ttt180 176.91 -42.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.404 -1.057 . . . . 0.0 109.116 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.99 -36.77 56.17 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.29 -0.881 . . . . 0.0 109.234 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.558 ' HD2' HD13 ' D' ' 348' ' ' LEU . 26.1 mtm-85 -70.35 -33.6 71.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.277 -0.889 . . . . 0.0 108.934 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.446 ' CD1' HD12 ' D' ' 330' ' ' LEU . 80.8 t80 -66.23 -31.58 72.48 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 17.9 mt-10 -76.01 -37.22 58.68 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.521 ' HE1' ' HG2' ' A' ' 343' ' ' GLU . 4.0 mtp -54.75 -52.25 63.11 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.717 ' HE1' HD11 ' A' ' 344' ' ' LEU . 11.1 m-30 -66.0 -43.95 86.22 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.381 -0.825 . . . . 0.0 109.04 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -43.69 -32.3 0.96 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.326 -0.858 . . . . 0.0 108.817 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.477 ' HG2' ' HE1' ' A' ' 340' ' ' MET . 3.9 tt0 -77.04 -43.7 33.57 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' B' ' 344' ' ' LEU . 1.2 mm? -57.49 -64.15 0.99 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.267 -0.896 . . . . 0.0 108.77 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.733 ' ND2' HD21 ' D' ' 330' ' ' LEU . 26.3 p-10 -58.5 -16.46 15.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 109.571 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 0.2 OUTLIER -67.92 -46.64 70.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.165 -0.959 . . . . 0.0 109.252 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.992 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -71.55 -45.34 62.58 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.386 -0.821 . . . . 0.0 109.564 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.968 HD23 ' HB2' ' B' ' 347' ' ' ALA . 66.0 mt -53.71 -48.36 69.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.114 -0.991 . . . . 0.0 109.134 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -60.71 -34.55 74.56 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.054 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -61.87 -30.44 70.86 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.513 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.521 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 23.1 ttpt -63.68 -40.05 95.85 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.44 -37.44 83.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.341 -0.849 . . . . 0.0 109.223 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.9 -14.94 59.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.918 . . . . 0.0 109.24 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.605 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -70.1 149.18 47.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 109.456 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 118.037 -0.983 . . . . 0.0 109.347 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -132.4 -170.65 2.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -1.153 . . . . 0.0 109.474 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -103.03 120.6 40.95 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.897 . . . . 0.0 109.492 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 46.6 m-85 -108.58 139.52 43.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.335 -0.853 . . . . 0.0 109.519 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.79 HG22 HG22 ' C' ' 329' ' ' THR . 0.1 OUTLIER -97.66 133.22 42.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.217 -0.927 . . . . 0.0 109.618 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.733 HD21 ' ND2' ' C' ' 345' ' ' ASN . 0.3 OUTLIER -117.79 87.03 2.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.341 -0.849 . . . . 0.0 109.032 179.611 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 12.8 tt0 -82.02 109.18 16.12 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.308 -0.87 . . . . 0.0 109.831 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -106.84 134.65 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -84.58 129.01 34.89 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.875 . . . . 0.0 109.538 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 136.96 -126.57 3.75 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 3.6 ttt180 177.09 -42.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.408 -1.054 . . . . 0.0 109.101 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -77.34 -36.7 53.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.233 -0.917 . . . . 0.0 109.165 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.547 ' CD ' HD13 ' C' ' 348' ' ' LEU . 26.0 mtm-85 -70.49 -33.38 71.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 108.924 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.446 ' CD1' HD12 ' C' ' 330' ' ' LEU . 80.9 t80 -66.35 -31.75 72.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.218 -0.926 . . . . 0.0 108.623 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 18.2 mt-10 -75.94 -37.12 59.03 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.511 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.9 mtp -54.8 -52.24 63.28 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.714 ' HE1' HD11 ' B' ' 344' ' ' LEU . 11.1 m-30 -65.87 -43.94 86.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.459 -0.776 . . . . 0.0 108.985 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -43.95 -31.95 1.01 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.528 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 4.0 tt0 -77.34 -43.38 33.17 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -57.98 -64.01 1.06 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.313 -0.867 . . . . 0.0 108.749 179.488 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.716 ' ND2' HD21 ' C' ' 330' ' ' LEU . 26.1 p-10 -58.5 -16.15 14.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 109.529 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 0.2 OUTLIER -68.03 -46.29 71.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.925 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 1.01 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.8 -46.43 58.25 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.265 -0.897 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.871 HD23 ' HB2' ' A' ' 347' ' ' ALA . 66.7 mt -52.58 -48.5 66.17 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.118 -0.989 . . . . 0.0 109.166 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -60.8 -34.6 74.76 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.107 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -61.47 -30.83 70.85 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.368 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 22.8 ttpt -63.72 -40.19 96.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.339 -0.851 . . . . 0.0 108.77 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.51 -37.29 83.17 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.333 -0.854 . . . . 0.0 109.075 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.16 -15.01 59.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.211 -0.931 . . . . 0.0 109.227 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.742 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -70.24 149.13 47.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.186 -0.946 . . . . 0.0 109.504 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.455 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -159.57 -170.63 3.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.167 -1.196 . . . . 0.0 109.619 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -99.37 114.6 27.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.608 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.613 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 84.2 m-85 -110.15 165.19 11.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.072 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.085 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -127.72 132.01 49.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.164 -0.96 . . . . 0.0 109.792 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.1 OUTLIER -112.41 94.41 4.91 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.417 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 6.1 tt0 -88.94 116.23 27.07 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.273 -0.892 . . . . 0.0 108.999 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.18 120.38 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.372 -0.83 . . . . 0.0 109.935 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -81.07 90.76 6.02 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 178.68 -151.9 10.85 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -154.55 -46.14 0.09 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.222 -1.164 . . . . 0.0 109.016 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.53 -48.67 31.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.249 -0.907 . . . . 0.0 109.188 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -61.89 -45.4 93.92 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.238 -0.914 . . . . 0.0 108.864 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 44.7 t80 -58.85 -36.57 74.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.281 -0.887 . . . . 0.0 108.948 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.18 -34.4 76.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.053 -1.03 . . . . 0.0 108.86 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.451 ' O ' HD23 ' A' ' 344' ' ' LEU . 3.6 mtm -59.7 -40.82 89.2 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.903 0.858 . . . . 0.0 109.145 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.666 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.7 m-30 -75.98 -30.78 58.71 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.889 0.852 . . . . 0.0 109.366 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 0.0 OUTLIER -59.83 -40.46 88.56 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.423 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 346' ' ' GLU . 28.3 tt0 -76.56 -50.9 12.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.155 -0.966 . . . . 0.0 109.464 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.846 HD12 HD12 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -48.6 -60.35 2.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.36 -0.838 . . . . 0.0 109.399 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.52 ' HB3' ' CE2' ' B' ' 341' ' ' PHE . 43.9 p-10 -66.86 -19.29 65.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.848 . . . . 0.0 110.061 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' A' ' 345' ' ' ASN . 2.4 tt0 -65.83 -51.7 56.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.886 -1.134 . . . . 0.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.597 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -67.15 -38.01 84.77 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.268 -0.895 . . . . 0.0 109.525 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.841 HD23 ' HB2' ' D' ' 347' ' ' ALA . 92.5 mt -56.57 -49.22 75.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.161 -0.962 . . . . 0.0 108.864 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -64.85 -24.89 67.68 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.0 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -70.77 -26.09 63.19 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.268 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.628 ' CA ' HD21 ' D' ' 350' ' ' LEU . 27.9 ttmt -69.06 -45.75 69.56 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.83 -33.1 71.32 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.361 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -82.48 -22.1 35.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 109.813 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.587 ' NE2' HD13 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -64.68 167.29 7.52 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.479 -0.763 . . . . 0.0 109.562 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.093 -1.004 . . . . 0.0 109.539 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -160.33 -171.73 3.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -1.116 . . . . 0.0 109.546 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -98.2 115.35 28.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.419 -0.8 . . . . 0.0 109.7 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 83.6 m-85 -111.71 162.89 14.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.873 . . . . 0.0 109.263 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.085 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -124.51 139.05 54.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.269 -0.894 . . . . 0.0 109.478 179.724 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -118.75 84.13 2.13 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.7 tt0 -79.52 117.24 20.28 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.292 -0.88 . . . . 0.0 109.908 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.55 122.34 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.352 -0.843 . . . . 0.0 109.155 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -83.6 88.17 7.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.348 -0.845 . . . . 0.0 109.079 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.95 -149.81 8.48 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -155.18 -46.34 0.08 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.341 -1.094 . . . . 0.0 109.129 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 336' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' B' ' 336' ' ' GLU . 5.9 mm-40 -72.73 -48.48 38.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.152 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -62.27 -46.79 87.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.214 -0.929 . . . . 0.0 109.1 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 45.3 t80 -57.38 -37.29 72.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.245 -0.909 . . . . 0.0 109.002 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -35.94 80.01 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.222 -0.924 . . . . 0.0 108.825 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.471 ' O ' HD23 ' B' ' 344' ' ' LEU . 4.9 mtm -59.37 -41.67 89.84 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.662 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.9 m-30 -75.6 -26.7 58.07 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.55 -0.719 . . . . 0.0 109.09 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.0 OUTLIER -64.23 -37.52 87.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.297 -0.877 . . . . 0.0 109.092 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' B' ' 346' ' ' GLU . 28.9 tt0 -79.04 -50.14 11.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 109.208 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.828 HD12 HD12 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -49.36 -59.13 3.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 0.0 109.224 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' B' ' 346' ' ' GLU . 42.5 p-10 -67.93 -17.88 64.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.418 -0.801 . . . . 0.0 110.006 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' B' ' 345' ' ' ASN . 2.4 tt0 -67.89 -52.21 39.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.962 -1.086 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.663 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -66.44 -37.75 85.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.199 -0.938 . . . . 0.0 109.34 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.794 HD23 ' HB2' ' C' ' 347' ' ' ALA . 88.5 mt -57.06 -49.55 75.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.161 -0.962 . . . . 0.0 109.125 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.33 -27.53 69.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.254 -0.904 . . . . 0.0 108.649 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.986 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.26 -27.41 67.19 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.292 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.651 ' CA ' HD21 ' C' ' 350' ' ' LEU . 27.9 ttmt -68.84 -44.78 72.69 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.71 -31.62 70.9 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.517 -0.739 . . . . 0.0 109.389 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.51 -22.91 32.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 0.0 109.516 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.711 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -64.9 169.3 5.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.246 -0.909 . . . . 0.0 109.412 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.52 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.389 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -160.42 -171.62 3.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -1.115 . . . . 0.0 109.64 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.429 ' OH ' ' HD2' ' D' ' 333' ' ' ARG . 14.7 m-85 -98.34 115.68 28.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.919 . . . . 0.0 109.65 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 82.3 m-85 -111.22 164.49 12.82 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.944 . . . . 0.0 109.175 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.082 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -126.6 134.67 50.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.129 -0.982 . . . . 0.0 109.787 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.538 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.95 86.36 2.43 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.578 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 4.8 tt0 -81.48 117.55 21.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.878 . . . . 0.0 109.57 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.28 120.65 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.446 ' HD2' ' OH ' ' D' ' 327' ' ' TYR . 3.9 ttt-85 -81.44 89.37 6.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.259 -0.901 . . . . 0.0 109.341 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.29 -151.25 10.02 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -153.89 -46.52 0.09 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -1.139 . . . . 0.0 109.162 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.25 -48.77 40.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.223 -0.923 . . . . 0.0 109.134 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -62.16 -46.27 89.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.401 -0.812 . . . . 0.0 109.088 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.607 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 44.9 t80 -57.77 -37.81 74.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.284 -0.885 . . . . 0.0 108.978 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 0.7 OUTLIER -66.95 -35.85 80.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.336 -0.852 . . . . 0.0 108.769 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.5 mtm -59.3 -41.62 89.41 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.639 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.8 m-30 -75.55 -26.78 58.27 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.58 -0.7 . . . . 0.0 109.158 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.0 OUTLIER -63.92 -38.13 89.95 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.312 -0.867 . . . . 0.0 109.127 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' C' ' 346' ' ' GLU . 28.1 tt0 -78.3 -50.56 11.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.296 -0.877 . . . . 0.0 109.247 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.828 HD12 HD12 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -48.75 -59.31 3.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.261 -0.899 . . . . 0.0 109.374 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.578 ' HB3' ' CE2' ' D' ' 341' ' ' PHE . 45.7 p-10 -68.52 -17.58 64.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.249 -0.907 . . . . 0.0 110.201 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' C' ' 345' ' ' ASN . 2.5 tt0 -68.02 -51.29 48.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.003 -1.06 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.794 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -67.1 -36.11 81.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.325 -0.859 . . . . 0.0 109.386 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' B' ' 347' ' ' ALA . 88.1 mt -59.04 -49.55 77.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.922 . . . . 0.0 109.145 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.96 -27.65 69.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.274 -0.891 . . . . 0.0 108.755 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.986 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -67.27 -27.4 67.16 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.693 ' CA ' HD21 ' B' ' 350' ' ' LEU . 27.4 ttmt -69.02 -43.9 73.82 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.443 -0.785 . . . . 0.0 108.899 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.5 -31.29 71.28 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.446 -0.784 . . . . 0.0 109.38 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.7 -22.96 31.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.473 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.845 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -64.88 169.4 5.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 0.0 109.524 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.525 -179.912 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -160.07 -171.98 3.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.202 -1.175 . . . . 0.0 109.628 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.446 ' OH ' ' HD2' ' C' ' 333' ' ' ARG . 14.7 m-85 -98.13 115.55 28.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 109.593 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.607 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 82.4 m-85 -111.19 164.36 12.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.29 -0.881 . . . . 0.0 109.141 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.082 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -126.53 134.68 50.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.191 -0.943 . . . . 0.0 109.706 -179.773 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.526 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.97 86.06 2.38 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.7 tt0 -81.11 117.48 21.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.707 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.08 120.7 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.351 -0.843 . . . . 0.0 109.554 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.429 ' HD2' ' OH ' ' C' ' 327' ' ' TYR . 4.1 ttt-85 -81.69 89.65 6.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.238 -0.914 . . . . 0.0 109.37 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.12 -151.12 9.95 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -153.75 -46.89 0.09 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.324 -1.104 . . . . 0.0 109.12 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.13 -48.86 40.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 0.0 109.11 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -62.02 -46.34 89.63 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.235 -0.915 . . . . 0.0 109.136 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 45.0 t80 -57.65 -37.62 73.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.262 -0.899 . . . . 0.0 108.972 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -35.63 80.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.24 -0.913 . . . . 0.0 108.83 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.7 mtm -59.65 -41.63 90.98 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.655 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.8 m-30 -75.47 -26.82 58.52 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.0 OUTLIER -63.97 -38.0 89.49 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.303 -0.873 . . . . 0.0 109.179 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' D' ' 346' ' ' GLU . 28.5 tt0 -78.46 -50.27 11.95 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.404 -0.81 . . . . 0.0 109.234 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.846 HD12 HD12 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -49.06 -59.51 3.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 0.0 109.298 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.58 ' HB3' ' CE2' ' C' ' 341' ' ' PHE . 45.6 p-10 -68.17 -17.41 64.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.222 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.51 ' N ' ' OD1' ' D' ' 345' ' ' ASN . 2.4 tt0 -67.81 -51.76 44.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.954 -1.091 . . . . 0.0 109.268 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.841 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -66.74 -37.4 84.57 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.296 -0.877 . . . . 0.0 109.353 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.644 HD11 HD13 ' A' ' 344' ' ' LEU . 88.4 mt -57.69 -49.6 75.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.191 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.02 -28.04 69.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.262 -0.899 . . . . 0.0 108.639 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.0 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -66.94 -27.47 67.5 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.692 ' CA ' HD21 ' A' ' 350' ' ' LEU . 27.2 ttmt -69.26 -43.83 73.13 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.434 -0.791 . . . . 0.0 108.888 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.52 -31.17 71.17 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.564 -0.71 . . . . 0.0 109.199 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.78 -23.35 31.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.366 -0.834 . . . . 0.0 109.453 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.959 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -64.73 169.51 4.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.135 -0.978 . . . . 0.0 109.498 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.498 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.73 -175.63 5.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.22 -1.165 . . . . 0.0 109.517 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -99.55 118.0 35.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.269 -0.894 . . . . 0.0 109.56 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.603 ' HB3' ' CD1' ' B' ' 338' ' ' PHE . 84.0 m-85 -112.72 160.92 17.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.151 -0.968 . . . . 0.0 109.194 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.104 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -137.36 132.62 33.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.186 -0.946 . . . . 0.0 110.151 -178.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.859 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -108.97 96.99 6.7 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.176 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.776 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.7 OUTLIER -88.17 108.82 19.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.137 -0.977 . . . . 0.0 108.459 -179.581 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.572 HD11 HD23 ' A' ' 330' ' ' LEU . 2.9 mt -113.77 115.56 50.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.495 -0.753 . . . . 0.0 109.677 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -79.44 99.17 7.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.966 . . . . 0.0 108.674 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 176.08 -128.23 1.34 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 19.9 ttt180 179.74 -54.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.409 -1.054 . . . . 0.0 109.128 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 26.0 pt-20 -70.81 -45.84 63.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.231 -0.918 . . . . 0.0 109.232 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.895 ' HD3' HD22 ' B' ' 348' ' ' LEU . 8.0 mtm105 -64.04 -44.21 93.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.248 -0.908 . . . . 0.0 108.756 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.892 ' CE1' HD12 ' B' ' 330' ' ' LEU . 61.1 t80 -59.04 -32.36 69.68 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 342' ' ' ARG . 1.5 mt-10 -67.18 -43.0 83.27 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.167 -0.958 . . . . 0.0 108.545 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.42 ' SD ' ' OE2' ' C' ' 343' ' ' GLU . 4.0 mtp -48.79 -50.09 35.74 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.069 0.938 . . . . 0.0 108.819 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -65.42 -35.07 79.84 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.854 0.835 . . . . 0.0 109.173 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -56.45 -31.73 64.25 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.517 ' HG2' ' HE1' ' C' ' 340' ' ' MET . 0.9 OUTLIER -73.98 -60.96 2.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.753 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.516 ' HG ' ' HG ' ' D' ' 344' ' ' LEU . 1.5 mm? -54.85 -61.89 2.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.014 -1.054 . . . . 0.0 108.492 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.489 ' ND2' HD23 ' B' ' 330' ' ' LEU . 11.1 t-20 -44.38 -31.65 1.12 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.641 -0.662 . . . . 0.0 109.268 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 343' ' ' GLU . 0.9 OUTLIER -69.48 -49.14 57.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.226 -0.921 . . . . 0.0 110.175 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.483 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -61.52 -39.93 92.82 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.112 -0.992 . . . . 0.0 109.695 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.836 HD22 ' HD3' ' B' ' 337' ' ' ARG . 60.7 mt -60.03 -51.41 69.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -59.05 -25.74 63.99 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.034 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -74.43 -31.87 62.44 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 120.967 -1.083 . . . . 0.0 108.36 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.599 ' CA ' HD21 ' D' ' 350' ' ' LEU . 7.7 ttmt -60.07 -38.39 82.73 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -30.39 65.83 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -100.81 53.28 0.86 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.462 -0.774 . . . . 0.0 109.763 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.787 ' CD ' HD13 ' D' ' 350' ' ' LEU . 11.1 mt-30 -96.92 87.31 4.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 109.55 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.568 -179.893 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.95 -177.29 6.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.189 -1.183 . . . . 0.0 109.537 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -97.86 118.93 35.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.389 -0.819 . . . . 0.0 109.551 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.576 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 83.4 m-85 -114.58 158.9 21.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -0.897 . . . . 0.0 109.312 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.104 HG22 HG22 ' A' ' 329' ' ' THR . 0.3 OUTLIER -134.82 138.13 43.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 109.991 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.892 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -113.87 89.55 3.12 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.016 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.704 ' HG2' HG23 ' A' ' 329' ' ' THR . 0.9 OUTLIER -80.91 106.95 13.31 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.278 -0.889 . . . . 0.0 109.668 -179.378 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.464 HD11 HD23 ' B' ' 330' ' ' LEU . 2.8 mp -111.47 118.3 57.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.391 -0.818 . . . . 0.0 109.095 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -83.03 96.6 8.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 108.86 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 177.75 -127.39 1.18 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 21.1 ttt180 -179.72 -54.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.322 -1.105 . . . . 0.0 109.204 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 336' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 26.0 pt-20 -69.77 -45.53 67.82 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.253 -0.904 . . . . 0.0 109.203 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.836 ' HD3' HD22 ' A' ' 348' ' ' LEU . 8.0 mtm105 -64.6 -44.97 88.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.279 -0.888 . . . . 0.0 109.047 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.859 ' CE1' HD12 ' A' ' 330' ' ' LEU . 61.1 t80 -58.22 -32.37 68.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.199 -0.938 . . . . 0.0 108.634 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 342' ' ' ARG . 1.4 mt-10 -67.23 -44.26 79.94 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.526 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 4.4 mtp -48.87 -50.39 35.03 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -65.35 -31.92 73.29 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -60.59 -27.76 67.97 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.514 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.516 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 0.8 OUTLIER -76.12 -63.42 1.32 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.446 -0.784 . . . . 0.0 109.074 179.583 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.581 ' H ' HD22 ' B' ' 344' ' ' LEU . 1.7 mm? -51.95 -65.58 0.53 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.085 -1.009 . . . . 0.0 108.287 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.592 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 8.8 t-20 -40.65 -31.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.596 -0.69 . . . . 0.0 109.615 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 0.9 OUTLIER -71.42 -49.07 45.42 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.34 -0.85 . . . . 0.0 109.803 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.506 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -61.16 -39.32 89.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.146 -0.971 . . . . 0.0 109.611 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.895 HD22 ' HD3' ' A' ' 337' ' ' ARG . 55.9 mt -61.81 -50.75 71.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.894 . . . . 0.0 108.67 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.23 -27.18 65.51 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.017 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -72.29 -34.49 68.21 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.354 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.624 ' CA ' HD21 ' C' ' 350' ' ' LEU . 7.7 ttmt -58.17 -38.12 76.05 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -28.9 63.71 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.08 53.11 0.81 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.452 -0.78 . . . . 0.0 109.493 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.787 ' CD ' HD13 ' C' ' 350' ' ' LEU . 13.4 mt-30 -96.62 88.09 4.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -0.93 . . . . 0.0 109.527 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.548 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -153.6 -175.94 5.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -1.133 . . . . 0.0 109.563 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -99.5 119.26 37.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.595 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 82.2 m-85 -114.16 159.9 19.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.18 -0.95 . . . . 0.0 109.171 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.064 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -136.24 135.49 39.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.098 -1.001 . . . . 0.0 110.171 -179.226 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.917 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -111.67 90.29 3.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.326 -0.859 . . . . 0.0 108.903 179.142 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.689 ' HG2' HG23 ' D' ' 329' ' ' THR . 0.9 OUTLIER -81.35 107.59 14.26 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.242 -0.911 . . . . 0.0 109.599 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.503 HD11 HD23 ' C' ' 330' ' ' LEU . 2.8 mp -112.58 116.76 53.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.432 -0.792 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -80.92 97.33 7.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.169 -0.957 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.42 -128.15 1.32 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -178.67 -53.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.22 -1.165 . . . . 0.0 109.284 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 336' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' C' ' 337' ' ' ARG . 26.1 pt-20 -70.23 -45.67 66.04 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 109.159 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.826 ' HD3' HD22 ' D' ' 348' ' ' LEU . 7.8 mtm105 -64.47 -44.64 90.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.202 -0.936 . . . . 0.0 108.912 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.93 ' CE1' HD12 ' D' ' 330' ' ' LEU . 60.9 t80 -58.61 -32.54 69.09 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' C' ' 342' ' ' ARG . 1.4 mt-10 -67.07 -43.73 81.89 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.517 ' HE1' ' HG2' ' A' ' 343' ' ' GLU . 4.4 mtp -49.28 -49.9 41.5 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -65.62 -31.73 72.91 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -60.49 -27.11 67.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.176 -0.953 . . . . 0.0 108.504 179.053 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.7 OUTLIER -77.17 -63.35 1.39 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.383 -0.823 . . . . 0.0 109.009 179.378 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.523 ' H ' HD22 ' C' ' 344' ' ' LEU . 1.4 mm? -51.92 -65.47 0.55 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.54 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 10.2 t-20 -41.49 -29.89 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.529 -0.732 . . . . 0.0 109.755 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' C' ' 343' ' ' GLU . 0.9 OUTLIER -72.88 -48.22 39.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 109.912 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.511 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -62.33 -35.7 79.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.0 109.475 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.808 HD22 ' HD3' ' D' ' 337' ' ' ARG . 58.9 mt -65.03 -50.48 66.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.118 -0.989 . . . . 0.0 108.697 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.28 -27.41 65.81 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.017 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -71.94 -34.24 68.88 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.352 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.646 ' CA ' HD21 ' B' ' 350' ' ' LEU . 7.7 ttmt -58.42 -37.56 75.61 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -28.62 62.76 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.2 53.04 0.8 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.5 -0.75 . . . . 0.0 109.388 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.802 ' CD ' HD13 ' B' ' 350' ' ' LEU . 13.0 mt-30 -96.42 88.18 4.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.216 -0.928 . . . . 0.0 109.582 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.495 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -153.25 -176.08 5.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.294 -1.121 . . . . 0.0 109.566 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -99.39 118.71 36.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.424 -0.798 . . . . 0.0 109.49 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 83.7 m-85 -113.7 159.66 19.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.905 . . . . 0.0 109.248 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.064 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -136.24 135.53 39.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.028 -1.045 . . . . 0.0 110.102 -179.23 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.93 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -111.76 90.18 3.27 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.351 -0.843 . . . . 0.0 108.885 179.155 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.713 ' HG2' HG23 ' C' ' 329' ' ' THR . 0.9 OUTLIER -81.23 107.76 14.29 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.258 -0.901 . . . . 0.0 109.533 -179.612 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.511 HD11 HD23 ' D' ' 330' ' ' LEU . 2.8 mp -112.58 116.9 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.344 -0.847 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -81.22 97.72 7.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.169 -0.957 . . . . 0.0 109.524 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.16 -127.99 1.31 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -178.6 -53.84 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.177 -1.19 . . . . 0.0 109.239 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 336' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 26.1 pt-20 -70.03 -45.61 66.82 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.896 . . . . 0.0 109.184 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.808 ' HD3' HD22 ' C' ' 348' ' ' LEU . 7.8 mtm105 -64.83 -44.28 90.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.88 . . . . 0.0 108.967 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.917 ' CE1' HD12 ' C' ' 330' ' ' LEU . 60.5 t80 -58.85 -32.2 69.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.139 -0.976 . . . . 0.0 108.672 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' D' ' 342' ' ' ARG . 1.4 mt-10 -67.23 -43.46 81.92 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.516 ' HE1' ' HG2' ' B' ' 343' ' ' GLU . 4.4 mtp -49.53 -49.91 44.07 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -65.8 -31.12 71.91 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -61.17 -26.77 67.94 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.201 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.526 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 0.8 OUTLIER -77.39 -63.13 1.44 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.422 -0.799 . . . . 0.0 109.044 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.516 ' HG ' ' HG ' ' A' ' 344' ' ' LEU . 1.4 mm? -52.41 -65.05 0.63 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.083 -1.011 . . . . 0.0 108.326 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.534 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 10.5 t-20 -41.68 -29.74 0.2 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.524 -0.735 . . . . 0.0 109.683 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' D' ' 343' ' ' GLU . 0.9 OUTLIER -72.56 -48.54 39.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 109.775 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.518 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -61.27 -38.75 87.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.183 -0.948 . . . . 0.0 109.46 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.826 HD22 ' HD3' ' C' ' 337' ' ' ARG . 56.7 mt -62.4 -50.55 71.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.159 -0.963 . . . . 0.0 108.779 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.48 -27.39 66.08 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.034 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -71.96 -34.56 69.07 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.359 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.668 ' CA ' HD21 ' A' ' 350' ' ' LEU . 7.7 ttmt -58.23 -38.03 76.04 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -28.66 63.33 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.31 53.12 0.8 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.433 -0.792 . . . . 0.0 109.441 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.797 ' CD ' HD13 ' A' ' 350' ' ' LEU . 11.6 mt-30 -96.86 88.86 4.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.119 -0.988 . . . . 0.0 109.512 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.552 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.05 -170.11 2.4 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.323 -1.104 . . . . 0.0 109.279 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.601 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 5.7 m-85 -103.28 109.11 20.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.0 109.372 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.554 ' HB3' ' CD1' ' B' ' 338' ' ' PHE . 27.1 m-85 -102.38 163.1 12.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.153 -0.967 . . . . 0.0 108.888 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.132 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -127.25 137.73 52.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.703 -179.723 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.604 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.2 OUTLIER -117.97 97.37 5.78 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 178.622 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.633 ' HG2' HG23 ' B' ' 329' ' ' THR . 52.8 mt-30 -87.89 109.43 19.77 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.408 -0.917 . . . . 0.0 108.572 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -101.85 118.03 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.437 -0.789 . . . . 0.0 109.61 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 5.3 mtm180 -78.29 91.47 4.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 108.814 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.75 -143.73 8.54 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -159.49 -57.3 0.06 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.253 -1.145 . . . . 0.0 108.786 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.36 -48.32 79.33 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.283 -0.886 . . . . 0.0 108.868 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.737 ' HD3' HD22 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -59.25 -39.24 82.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 0.0 108.894 179.472 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.566 ' CE1' HD12 ' B' ' 330' ' ' LEU . 88.7 t80 -60.37 -36.15 77.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.917 . . . . 0.0 109.109 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.11 -37.4 72.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.157 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.574 ' HE3' HD21 ' C' ' 344' ' ' LEU . 2.0 mtp -57.61 -47.22 82.78 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 122.002 0.906 . . . . 0.0 109.302 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.543 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.3 m-30 -70.21 -33.82 72.14 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 121.745 0.783 . . . . 0.0 109.079 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -35.67 63.66 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.463 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 19.0 tp10 -72.9 -60.88 2.02 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.403 -0.811 . . . . 0.0 109.791 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' D' ' 348' ' ' LEU . 0.9 OUTLIER -52.06 -62.8 1.41 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.691 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.518 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 9.4 t-20 -44.77 -33.48 1.91 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.635 -0.666 . . . . 0.0 109.977 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.73 -48.35 64.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.969 . . . . 0.0 110.214 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -61.67 -46.11 91.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.053 -1.029 . . . . 0.0 109.841 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.673 HD22 ' HD3' ' B' ' 337' ' ' ARG . 29.9 mt -54.66 -54.3 43.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.183 -0.948 . . . . 0.0 109.055 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -25.32 64.59 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.192 -0.943 . . . . 0.0 108.901 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.946 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -73.94 -30.55 62.61 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.026 -1.046 . . . . 0.0 108.457 179.605 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.637 ' CA ' HD21 ' D' ' 350' ' ' LEU . 7.8 tttt -62.41 -39.58 93.73 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.46 -27.61 62.41 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.248 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.75 23.86 3.9 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.244 -0.91 . . . . 0.0 109.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.679 ' CD ' HD13 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -88.37 6.74 35.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.214 -0.929 . . . . 0.0 109.764 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.583 -179.824 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.18 -169.39 2.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.289 -1.124 . . . . 0.0 109.531 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.586 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 6.0 m-85 -104.21 107.43 18.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.361 -0.837 . . . . 0.0 109.603 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.537 ' HB3' ' CD1' ' A' ' 338' ' ' PHE . 27.5 m-85 -101.85 161.05 13.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -0.91 . . . . 0.0 109.292 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.132 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -124.7 144.12 50.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.31 -0.869 . . . . 0.0 109.499 179.661 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.604 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -123.89 89.67 3.13 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.529 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 53.4 mt-30 -80.31 108.36 13.86 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.443 -0.903 . . . . 0.0 109.846 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -100.57 119.32 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.372 -0.83 . . . . 0.0 109.178 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.601 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 5.3 mtm180 -80.01 89.3 5.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.329 -0.857 . . . . 0.0 109.079 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.47 -141.87 7.06 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -160.02 -57.51 0.06 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.331 -1.099 . . . . 0.0 108.889 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.93 -48.06 79.18 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.327 -0.858 . . . . 0.0 108.836 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.673 ' HD3' HD22 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -59.53 -40.48 87.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -0.873 . . . . 0.0 109.153 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 330' ' ' LEU . 88.4 t80 -59.19 -36.11 74.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.269 -0.895 . . . . 0.0 109.088 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.32 -38.06 71.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.339 -0.851 . . . . 0.0 108.92 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.56 ' HE3' HD21 ' D' ' 344' ' ' LEU . 2.0 mtp -57.76 -47.06 83.59 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.528 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.6 m-30 -70.88 -30.95 67.47 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.506 -0.746 . . . . 0.0 109.008 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -33.35 68.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.09 -1.006 . . . . 0.0 108.437 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 19.4 tp10 -73.23 -64.76 0.91 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.482 -0.761 . . . . 0.0 109.132 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.635 HD11 HD11 ' C' ' 348' ' ' LEU . 1.2 mm? -47.71 -68.13 0.21 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.085 -1.009 . . . . 0.0 108.382 179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 7.6 t-20 -39.42 -34.79 0.23 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.636 -0.665 . . . . 0.0 110.135 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' B' ' 343' ' ' GLU . 7.6 tp10 -69.03 -48.71 62.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.217 -0.927 . . . . 0.0 110.164 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.547 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -61.29 -45.02 96.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.085 -1.009 . . . . 0.0 109.72 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.737 HD22 ' HD3' ' A' ' 337' ' ' ARG . 29.6 mt -56.4 -54.71 42.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.271 -0.893 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.18 -26.84 65.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.246 -0.909 . . . . 0.0 109.151 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.941 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -71.55 -32.69 68.41 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.648 ' CA ' HD21 ' C' ' 350' ' ' LEU . 8.0 tttt -60.69 -39.36 88.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.336 -0.853 . . . . 0.0 108.82 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -25.65 60.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.501 -0.75 . . . . 0.0 109.23 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -94.24 24.56 4.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.0 109.579 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.666 ' CD ' HD13 ' C' ' 350' ' ' LEU . 0.3 OUTLIER -90.04 8.47 32.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.21 -0.931 . . . . 0.0 109.607 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.442 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.16 -168.45 1.89 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.34 -1.094 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.601 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 5.8 m-85 -104.9 107.67 18.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 109.602 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.563 ' HB3' ' CD1' ' D' ' 338' ' ' PHE . 27.7 m-85 -101.66 161.23 13.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.162 -0.961 . . . . 0.0 109.228 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.005 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -125.45 140.83 52.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.21 -0.931 . . . . 0.0 109.78 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -121.46 89.66 3.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.372 -0.83 . . . . 0.0 109.028 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.529 ' HG2' HG23 ' D' ' 329' ' ' THR . 51.0 mt-30 -80.13 109.0 14.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.176 -0.953 . . . . 0.0 109.587 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.4 118.78 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.32 -0.863 . . . . 0.0 109.34 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.602 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 5.3 mtm180 -78.7 90.54 4.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.228 -0.92 . . . . 0.0 109.403 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.42 -142.59 7.74 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -158.83 -57.24 0.07 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.268 -1.136 . . . . 0.0 109.041 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.06 -48.13 79.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 0.0 108.886 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.705 ' HD3' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.69 -39.57 84.99 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.274 -0.891 . . . . 0.0 109.019 179.513 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.609 ' CE1' HD12 ' D' ' 330' ' ' LEU . 88.4 t80 -59.69 -36.76 77.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.913 . . . . 0.0 109.105 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.92 -37.97 72.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 0.0 108.978 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.531 ' HE3' HD21 ' A' ' 344' ' ' LEU . 2.1 mtp -57.6 -46.85 83.54 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.832 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.555 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.5 m-30 -71.0 -31.27 67.75 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.461 -0.774 . . . . 0.0 109.062 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -33.19 67.07 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.096 -1.002 . . . . 0.0 108.574 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.461 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 19.0 tp10 -73.85 -64.46 1.0 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.338 -0.851 . . . . 0.0 109.052 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.577 ' CD1' HD11 ' B' ' 348' ' ' LEU . 0.8 OUTLIER -47.9 -68.04 0.22 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.077 -1.015 . . . . 0.0 108.4 179.505 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.549 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 8.8 t-20 -40.11 -34.17 0.28 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.635 -0.666 . . . . 0.0 110.267 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' C' ' 343' ' ' GLU . 7.3 tp10 -69.84 -48.53 58.57 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.161 -0.962 . . . . 0.0 110.219 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.553 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -61.54 -42.17 98.43 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.142 -0.974 . . . . 0.0 109.566 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.719 HD22 ' HD3' ' D' ' 337' ' ' ARG . 29.4 mt -59.2 -54.56 45.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.111 -0.993 . . . . 0.0 109.393 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.02 -26.56 64.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.241 -0.912 . . . . 0.0 109.252 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.941 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -71.7 -32.88 68.3 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.398 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.678 ' CA ' HD21 ' B' ' 350' ' ' LEU . 7.8 tttt -60.48 -39.11 86.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.377 -0.827 . . . . 0.0 108.892 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -25.67 60.55 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.45 -0.781 . . . . 0.0 109.282 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -94.27 24.72 4.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.344 -0.847 . . . . 0.0 109.582 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.693 ' CD ' HD13 ' B' ' 350' ' ' LEU . 0.4 OUTLIER -89.97 7.96 34.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.18 -0.95 . . . . 0.0 109.663 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.412 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.07 -168.61 1.95 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -1.164 . . . . 0.0 109.512 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.602 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 5.6 m-85 -104.8 107.53 18.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.252 -0.905 . . . . 0.0 109.556 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.593 ' HB3' ' CD1' ' C' ' 338' ' ' PHE . 27.8 m-85 -101.46 161.11 13.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.202 -0.936 . . . . 0.0 109.282 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.005 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -125.25 140.99 52.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.244 -0.91 . . . . 0.0 109.718 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.609 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.2 OUTLIER -121.6 89.82 3.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.362 -0.837 . . . . 0.0 108.94 179.594 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.538 ' HG2' HG23 ' C' ' 329' ' ' THR . 51.2 mt-30 -80.24 108.94 14.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -0.916 . . . . 0.0 109.742 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.12 118.89 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.91 . . . . 0.0 109.368 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.601 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 5.3 mtm180 -79.0 90.76 4.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.227 -0.921 . . . . 0.0 109.444 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.16 -142.78 7.89 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -158.51 -57.25 0.07 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -1.133 . . . . 0.0 108.982 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.95 -48.46 78.28 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.215 -0.928 . . . . 0.0 108.957 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.719 ' HD3' HD22 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.34 -39.5 83.39 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 0.0 109.074 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.627 ' CE1' HD12 ' C' ' 330' ' ' LEU . 88.0 t80 -59.67 -37.02 77.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 109.142 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.8 -37.86 73.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.317 -0.864 . . . . 0.0 108.916 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.615 ' HE3' HD21 ' B' ' 344' ' ' LEU . 2.1 mtp -57.6 -47.1 83.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.39 -0.819 . . . . 0.0 108.834 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.534 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.5 m-30 -70.86 -30.54 66.97 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.483 -0.761 . . . . 0.0 109.099 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -32.89 68.31 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.093 -1.005 . . . . 0.0 108.572 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 19.5 tp10 -73.65 -64.41 1.0 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.413 -0.804 . . . . 0.0 109.124 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.601 ' CD1' HD11 ' A' ' 348' ' ' LEU . 0.9 OUTLIER -48.37 -67.53 0.26 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.025 -1.047 . . . . 0.0 108.512 179.486 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.54 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 8.7 t-20 -40.43 -33.6 0.27 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.607 -0.683 . . . . 0.0 110.162 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' D' ' 343' ' ' GLU . 7.6 tp10 -69.85 -48.76 57.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.191 -0.943 . . . . 0.0 110.128 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.542 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -60.67 -44.85 95.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.119 -0.988 . . . . 0.0 109.523 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.705 HD22 ' HD3' ' C' ' 337' ' ' ARG . 29.6 mt -56.93 -55.03 39.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.98 -26.95 64.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.207 -0.933 . . . . 0.0 109.223 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.946 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -71.44 -32.84 68.81 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.402 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.667 ' CA ' HD21 ' A' ' 350' ' ' LEU . 8.0 tttt -60.71 -39.08 87.23 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.357 -0.839 . . . . 0.0 108.962 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -25.25 60.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.387 -0.821 . . . . 0.0 109.17 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -94.74 24.31 4.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.346 -0.846 . . . . 0.0 109.631 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.68 ' CD ' HD13 ' A' ' 350' ' ' LEU . 0.5 OUTLIER -89.77 8.65 30.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.126 -0.984 . . . . 0.0 109.537 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.476 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.449 ' HB2' ' CE2' ' A' ' 328' ' ' PHE . 1.4 mm-40 -105.56 170.16 8.05 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -1.119 . . . . 0.0 109.411 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.559 ' CD1' ' NE2' ' B' ' 331' ' ' GLN . 9.2 m-85 -99.91 115.04 28.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.185 -0.947 . . . . 0.0 109.563 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' A' ' 326' ' ' GLU . 99.0 m-85 -115.24 152.57 32.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.266 -0.896 . . . . 0.0 109.258 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.923 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -117.79 124.56 48.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.138 -0.976 . . . . 0.0 109.597 -179.707 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.497 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.3 OUTLIER -104.46 93.96 5.07 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.534 ' NE2' ' CD1' ' B' ' 327' ' ' TYR . 45.5 tt0 -88.6 116.27 26.72 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.001 -1.062 . . . . 0.0 109.084 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -118.92 129.46 75.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.385 -0.822 . . . . 0.0 109.767 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.9 ttp-105 -88.13 94.79 9.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.36 -0.837 . . . . 0.0 108.981 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.53 -138.66 3.38 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -168.98 -48.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.37 -1.076 . . . . 0.0 108.986 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.61 -41.47 45.9 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.228 -0.92 . . . . 0.0 109.168 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.811 ' HD2' HD13 ' B' ' 348' ' ' LEU . 4.4 mtm-85 -66.74 -40.33 88.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 0.0 108.906 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.483 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 90.1 t80 -62.01 -38.79 89.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.313 -0.867 . . . . 0.0 109.05 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.81 -44.27 86.15 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.158 -0.964 . . . . 0.0 109.048 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.1 mtp -51.56 -53.0 42.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 109.586 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' B' ' 344' ' ' LEU . 11.7 m-85 -62.4 -33.67 75.22 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.829 0.823 . . . . 0.0 109.27 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -34.05 72.78 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.96 -52.66 16.05 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.153 -0.967 . . . . 0.0 109.507 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.626 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.7 mm? -52.62 -48.37 66.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.15 -0.969 . . . . 0.0 109.243 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.408 ' CG ' ' CE2' ' B' ' 341' ' ' PHE . 0.6 OUTLIER -65.5 -25.73 67.6 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.382 -0.824 . . . . 0.0 109.639 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.45 -45.59 79.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.856 . . . . 0.0 109.653 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.892 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -69.72 -43.61 72.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 0.0 109.603 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.77 HD13 ' HD2' ' B' ' 337' ' ' ARG . 87.9 mt -55.21 -52.3 63.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.201 -0.937 . . . . 0.0 109.0 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.45 -28.35 69.21 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.295 -0.878 . . . . 0.0 108.819 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.998 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -69.76 -27.73 65.18 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 121.048 -1.032 . . . . 0.0 108.255 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.529 ' CG ' HD22 ' D' ' 350' ' ' LEU . 11.7 tttm -67.94 -39.8 83.4 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.24 -44.27 95.36 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.96 -15.01 62.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.422 -0.799 . . . . 0.0 109.235 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.488 ' HG3' HD11 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -72.94 125.65 28.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.524 -0.735 . . . . 0.0 109.452 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 109.536 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.462 ' HB2' ' CE2' ' B' ' 328' ' ' PHE . 1.5 mm-40 -105.89 169.91 8.21 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.281 -1.129 . . . . 0.0 109.533 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.534 ' CD1' ' NE2' ' A' ' 331' ' ' GLN . 9.9 m-85 -99.8 115.77 30.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.395 -0.816 . . . . 0.0 109.488 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' B' ' 326' ' ' GLU . 99.1 m-85 -116.41 151.9 35.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.483 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.923 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -116.19 131.1 57.04 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.219 -0.925 . . . . 0.0 109.163 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.483 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.3 OUTLIER -110.99 82.28 1.57 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -0.817 . . . . 0.0 108.855 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.559 ' NE2' ' CD1' ' A' ' 327' ' ' TYR . 48.8 tt0 -77.93 117.82 19.64 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.253 -0.904 . . . . 0.0 110.015 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.22 131.12 73.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.379 -0.826 . . . . 0.0 109.015 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' B' ' 333' ' ' ARG . 27.9 ttp-105 -90.43 92.3 8.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.301 -0.875 . . . . 0.0 109.205 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.93 -137.94 2.93 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.336 -1.505 . . . . 0.0 109.336 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -168.96 -48.03 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -1.089 . . . . 0.0 109.141 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -76.1 -41.06 51.5 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.348 -0.845 . . . . 0.0 109.19 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.77 ' HD2' HD13 ' A' ' 348' ' ' LEU . 3.4 mtt-85 -66.78 -42.09 86.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.234 -0.916 . . . . 0.0 109.227 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 90.9 t80 -60.58 -39.61 88.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.229 -0.919 . . . . 0.0 109.25 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.9 -46.64 80.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.159 -0.963 . . . . 0.0 108.948 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.9 mtp -50.58 -54.75 20.17 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.443 -0.785 . . . . 0.0 108.899 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 344' ' ' LEU . 15.5 m-85 -61.29 -29.77 70.07 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -0.809 . . . . 0.0 109.209 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -33.36 75.59 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.23 -0.919 . . . . 0.0 109.048 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.16 -53.29 15.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.295 -0.878 . . . . 0.0 109.568 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.694 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.8 mm? -52.47 -49.53 64.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.116 -0.99 . . . . 0.0 108.929 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -26.7 68.86 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -0.802 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.65 -45.6 78.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.195 -0.94 . . . . 0.0 109.705 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.976 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -69.97 -41.34 74.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.157 -0.964 . . . . 0.0 109.653 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.811 HD13 ' HD2' ' A' ' 337' ' ' ARG . 91.9 mt -57.09 -53.07 62.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 109.359 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.14 -33.47 72.21 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.36 -0.837 . . . . 0.0 108.874 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.03 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.22 -30.68 71.78 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' C' ' 350' ' ' LEU . 11.6 tttm -66.17 -40.16 90.29 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.16 -43.49 95.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.408 -0.808 . . . . 0.0 108.846 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.3 -14.98 61.89 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.393 -0.817 . . . . 0.0 109.084 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.502 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -73.49 126.88 31.23 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.425 -0.797 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.57 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.443 ' HB2' ' CE2' ' C' ' 328' ' ' PHE . 1.4 mm-40 -105.89 170.66 7.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -1.104 . . . . 0.0 109.427 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' NE2' ' D' ' 331' ' ' GLN . 9.7 m-85 -100.82 115.9 31.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 109.482 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' C' ' 326' ' ' GLU . 99.1 m-85 -115.96 152.56 33.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.931 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -117.37 126.56 52.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 109.556 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.449 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.3 OUTLIER -106.59 85.45 2.17 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.322 -0.861 . . . . 0.0 109.192 179.754 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.444 ' NE2' ' CD1' ' D' ' 327' ' ' TYR . 48.5 tt0 -80.93 117.26 21.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.806 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.74 130.75 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.863 . . . . 0.0 109.176 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.3 ttp-105 -89.41 93.65 9.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.168 -0.957 . . . . 0.0 109.582 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.05 -138.37 3.2 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -168.3 -47.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.323 -1.104 . . . . 0.0 109.115 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -76.34 -41.07 49.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.227 -0.92 . . . . 0.0 109.185 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.673 ' HD3' HD22 ' D' ' 348' ' ' LEU . 3.4 mtt-85 -66.78 -41.81 87.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.326 -0.859 . . . . 0.0 109.082 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.459 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 89.8 t80 -60.72 -40.7 93.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.275 -0.891 . . . . 0.0 109.147 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.7 -47.18 82.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.259 -0.901 . . . . 0.0 108.949 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.1 mtp -49.89 -53.64 24.62 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.335 -0.853 . . . . 0.0 108.988 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.473 ' CE2' ' CG ' ' D' ' 345' ' ' ASN . 15.6 m-85 -62.36 -29.22 70.31 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.416 -0.803 . . . . 0.0 109.287 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -32.98 74.82 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.333 -0.854 . . . . 0.0 109.14 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.91 -53.5 12.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.3 -0.875 . . . . 0.0 109.582 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.5 mm? -52.28 -49.25 64.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.2 -0.938 . . . . 0.0 108.955 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.472 ' CG ' ' CE2' ' D' ' 341' ' ' PHE . 0.6 OUTLIER -64.37 -26.49 68.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.471 -0.768 . . . . 0.0 109.541 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.43 -44.53 78.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.306 -0.871 . . . . 0.0 109.503 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.917 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -71.18 -38.36 72.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.258 -0.901 . . . . 0.0 109.609 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.675 HD22 ' HD3' ' D' ' 337' ' ' ARG . 91.6 mt -60.26 -52.64 64.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.022 -1.049 . . . . 0.0 109.308 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.66 -33.49 71.62 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.332 -0.855 . . . . 0.0 109.039 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.03 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -63.77 -30.38 71.48 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.614 ' HG3' HD22 ' B' ' 350' ' ' LEU . 11.9 tttm -66.14 -39.6 89.96 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.75 -43.53 97.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.311 -0.868 . . . . 0.0 108.859 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.32 -14.45 61.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.382 -0.824 . . . . 0.0 109.185 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.651 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -74.04 127.56 33.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.337 -0.852 . . . . 0.0 109.424 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.431 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.445 ' HB2' ' CE2' ' D' ' 328' ' ' PHE . 1.5 mm-40 -105.51 170.26 7.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -1.175 . . . . 0.0 109.545 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.444 ' CD1' ' NE2' ' C' ' 331' ' ' GLN . 10.0 m-85 -100.41 115.7 30.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.23 -0.919 . . . . 0.0 109.579 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' D' ' 326' ' ' GLU . 99.0 m-85 -115.94 152.7 32.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.205 -0.934 . . . . 0.0 109.305 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.931 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -117.51 126.54 52.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 109.573 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.459 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.3 OUTLIER -106.66 85.59 2.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.337 -0.852 . . . . 0.0 109.169 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.432 ' NE2' ' CD1' ' C' ' 327' ' ' TYR . 48.2 tt0 -80.68 117.3 21.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.264 -0.897 . . . . 0.0 109.769 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.78 130.96 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.24 -0.912 . . . . 0.0 109.362 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -89.74 93.98 9.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.27 -0.894 . . . . 0.0 109.582 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.72 -138.73 3.44 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -167.82 -47.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.373 -1.075 . . . . 0.0 109.098 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -76.32 -41.39 48.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.288 -0.883 . . . . 0.0 109.195 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.675 ' HD3' HD22 ' C' ' 348' ' ' LEU . 3.5 mtt-85 -66.56 -41.34 88.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.343 -0.848 . . . . 0.0 109.186 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 90.5 t80 -61.18 -40.23 93.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.245 -0.91 . . . . 0.0 109.218 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.98 -46.87 82.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.175 -0.953 . . . . 0.0 108.911 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.1 mtp -50.24 -53.86 25.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.345 -0.847 . . . . 0.0 108.916 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 14.6 m-85 -61.86 -29.17 70.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.478 -0.764 . . . . 0.0 109.292 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -32.3 73.96 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.405 -0.81 . . . . 0.0 109.185 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.02 -53.34 13.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.317 -0.865 . . . . 0.0 109.506 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.3 mm? -52.47 -49.72 64.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.145 -0.972 . . . . 0.0 108.979 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.473 ' CG ' ' CE2' ' C' ' 341' ' ' PHE . 0.6 OUTLIER -63.83 -26.18 68.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.438 -0.789 . . . . 0.0 109.527 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.29 -45.38 76.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.535 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.923 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -69.97 -40.49 75.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.898 . . . . 0.0 109.643 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.673 HD22 ' HD3' ' C' ' 337' ' ' ARG . 85.5 mt -58.66 -52.48 65.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.171 -0.956 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.94 -33.79 72.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.251 -0.906 . . . . 0.0 108.901 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.998 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -63.18 -30.59 71.71 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.57 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.628 ' HG3' HD22 ' A' ' 350' ' ' LEU . 11.4 tttm -66.28 -39.77 89.61 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.437 -0.789 . . . . 0.0 108.908 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.43 -43.04 97.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.337 -0.852 . . . . 0.0 108.752 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -15.19 61.62 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.338 -0.851 . . . . 0.0 109.225 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.762 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -73.75 127.52 33.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.366 -0.834 . . . . 0.0 109.378 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.462 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -131.64 -167.31 1.84 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.329 -1.101 . . . . 0.0 109.494 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' CD ' ' B' ' 333' ' ' ARG . 13.8 m-85 -110.21 109.55 20.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 0.0 109.523 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 32.8 m-85 -96.59 176.26 6.09 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.226 -0.921 . . . . 0.0 109.096 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.048 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -133.3 133.96 43.25 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.306 -0.871 . . . . 0.0 109.571 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.2 OUTLIER -116.2 96.5 5.58 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.439 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.654 ' HG3' HG23 ' B' ' 329' ' ' THR . 3.3 mt-30 -88.62 111.82 22.35 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.243 -0.911 . . . . 0.0 108.782 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 330' ' ' LEU . 4.3 mt -111.81 136.63 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.378 -0.827 . . . . 0.0 109.851 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.441 ' CD ' ' CZ ' ' B' ' 327' ' ' TYR . 1.2 ttp85 -95.14 130.54 41.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.358 -0.839 . . . . 0.0 109.017 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 136.6 -124.59 3.2 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 0.6 OUTLIER 178.09 -52.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.32 -1.106 . . . . 0.0 109.135 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -66.81 -50.3 63.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 0.0 108.999 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.752 ' HD3' HD22 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -56.54 -43.01 79.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.21 -0.931 . . . . 0.0 108.866 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.68 ' CE1' HD12 ' B' ' 330' ' ' LEU . 75.4 t80 -58.77 -37.07 75.45 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.314 -0.866 . . . . 0.0 108.993 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 10.2 mt-10 -62.5 -40.81 97.89 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.262 -0.899 . . . . 0.0 108.802 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 mtm -58.45 -50.9 72.03 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.79 0.805 . . . . 0.0 109.31 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.595 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.4 m-85 -62.73 -27.81 69.53 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.764 0.792 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -68.05 -30.83 70.14 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.76 -55.92 5.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.433 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.593 HD11 ' HE1' ' C' ' 341' ' ' PHE . 1.0 OUTLIER -54.57 -44.43 72.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 0.0 108.761 179.613 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 341' ' ' PHE . 8.8 t-20 -64.95 -28.81 69.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.603 -0.686 . . . . 0.0 109.227 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.19 -45.73 69.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.565 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.711 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -64.86 -47.66 77.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.089 -1.007 . . . . 0.0 109.564 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.71 HD22 ' HD3' ' B' ' 337' ' ' ARG . 22.5 mt -54.24 -55.41 28.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.0 108.526 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -56.83 -26.77 59.01 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.952 ' CD1' HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -68.5 -37.0 79.7 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.538 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 15.8 ttpp -57.72 -40.75 80.31 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -29.85 69.02 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.445 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -84.67 -9.79 57.91 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.204 -0.935 . . . . 0.0 109.857 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.533 ' CD ' HD13 ' D' ' 350' ' ' LEU . 1.2 mt-30 -54.24 -60.74 2.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.32 -0.863 . . . . 0.0 109.491 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.629 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -131.57 -166.42 1.71 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.249 -1.148 . . . . 0.0 109.507 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.441 ' CZ ' ' CD ' ' A' ' 333' ' ' ARG . 13.6 m-85 -110.92 108.9 18.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -0.922 . . . . 0.0 109.63 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 34.1 m-85 -97.8 169.85 9.38 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.211 -0.931 . . . . 0.0 109.37 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.048 HG22 HG22 ' A' ' 329' ' ' THR . 0.3 OUTLIER -126.06 141.3 52.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.442 -0.786 . . . . 0.0 109.777 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.68 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -123.29 87.93 2.83 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.425 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 2.8 mt-30 -80.77 112.72 18.42 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.18 -0.95 . . . . 0.0 109.708 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.64 136.35 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 109.556 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.456 ' CD ' ' CZ ' ' A' ' 327' ' ' TYR . 1.1 ttp85 -94.84 130.32 41.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.288 -0.883 . . . . 0.0 109.15 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 136.48 -124.4 3.17 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 0.6 OUTLIER 178.36 -52.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.245 -1.15 . . . . 0.0 109.222 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.41 -50.21 64.18 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.232 -0.917 . . . . 0.0 109.071 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.71 ' HD3' HD22 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -56.32 -44.62 80.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -0.918 . . . . 0.0 109.047 179.575 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.605 ' CE1' HD12 ' A' ' 330' ' ' LEU . 74.7 t80 -57.45 -36.94 72.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 108.962 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 9.0 mt-10 -62.6 -42.2 99.43 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 mtm -58.45 -51.84 68.16 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.564 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.3 m-85 -61.67 -25.31 67.31 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.389 -0.819 . . . . 0.0 109.07 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -71.12 -28.34 64.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.249 -0.907 . . . . 0.0 109.038 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.99 -55.51 5.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.362 -0.836 . . . . 0.0 109.259 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.561 HD11 ' HE1' ' D' ' 341' ' ' PHE . 1.1 mm? -55.21 -44.35 75.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.144 -0.972 . . . . 0.0 108.681 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.552 ' HB2' ' O ' ' B' ' 341' ' ' PHE . 0.2 OUTLIER -64.29 -28.86 70.01 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.791 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.13 -45.54 66.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 0.0 109.575 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.698 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -64.78 -47.25 78.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.0 109.267 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.752 HD22 ' HD3' ' A' ' 337' ' ' ARG . 20.9 mt -54.96 -55.9 25.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 108.783 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -56.86 -27.09 59.92 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.935 ' CD1' HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.35 -38.48 84.89 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.52 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.544 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 15.8 ttpp -56.42 -39.85 73.74 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -28.41 66.38 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.47 -0.768 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.45 -10.01 56.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.333 -0.854 . . . . 0.0 109.633 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.538 ' CD ' HD13 ' C' ' 350' ' ' LEU . 1.8 mt-30 -54.78 -60.53 3.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.543 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 117.982 -1.008 . . . . 0.0 109.551 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -131.73 -166.29 1.7 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.284 -1.127 . . . . 0.0 109.493 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.522 ' CZ ' ' CD ' ' D' ' 333' ' ' ARG . 13.7 m-85 -111.2 109.12 19.01 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.2 -0.937 . . . . 0.0 109.519 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.596 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 33.5 m-85 -96.57 174.29 6.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 109.412 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.96 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -130.86 136.43 48.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.187 -0.946 . . . . 0.0 109.711 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.699 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -119.2 89.42 3.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.284 -0.885 . . . . 0.0 108.807 179.656 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.542 ' HG3' HG23 ' D' ' 329' ' ' THR . 3.1 mt-30 -82.27 112.22 19.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.205 -0.935 . . . . 0.0 109.714 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.48 136.85 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.515 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.555 ' CD ' ' CZ ' ' D' ' 327' ' ' TYR . 1.3 ttp85 -95.16 130.14 41.99 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.307 -0.871 . . . . 0.0 109.443 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 136.36 -124.1 3.1 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 0.7 OUTLIER 178.51 -52.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -1.122 . . . . 0.0 109.307 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.35 -50.56 63.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.165 -0.959 . . . . 0.0 109.005 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.715 ' HD3' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -56.21 -43.7 78.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -0.912 . . . . 0.0 108.943 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.679 ' CE1' HD12 ' D' ' 330' ' ' LEU . 75.8 t80 -57.92 -37.68 74.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.423 -0.798 . . . . 0.0 109.054 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 9.2 mt-10 -61.87 -41.88 98.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.399 -0.813 . . . . 0.0 108.88 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 mtm -58.62 -51.63 69.09 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.593 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.3 m-85 -61.98 -24.49 67.05 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.485 -0.759 . . . . 0.0 109.199 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 mmt-85 -71.78 -28.18 63.45 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.338 -0.851 . . . . 0.0 108.812 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -78.68 -55.39 5.22 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.425 -0.797 . . . . 0.0 109.236 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.595 HD11 ' HE1' ' A' ' 341' ' ' PHE . 1.0 OUTLIER -55.09 -44.06 74.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.115 -0.99 . . . . 0.0 108.622 179.423 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' C' ' 341' ' ' PHE . 8.9 t-20 -65.47 -27.85 68.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.479 -0.763 . . . . 0.0 109.449 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 28.1 tt0 -70.75 -45.26 65.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 0.0 109.447 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.715 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -65.22 -45.83 83.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.297 -0.877 . . . . 0.0 109.194 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.694 HD22 ' HD3' ' D' ' 337' ' ' ARG . 21.5 mt -56.28 -55.84 28.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.935 . . . . 0.0 108.759 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.6 -27.26 57.67 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.935 HD11 ' CD1' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -67.29 -38.44 85.05 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.521 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.543 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 15.7 ttpp -56.2 -40.12 73.52 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -28.28 66.43 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.593 -0.692 . . . . 0.0 109.488 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.49 -9.84 56.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 0.0 109.578 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.623 ' CD ' HD13 ' B' ' 350' ' ' LEU . 2.0 mt-30 -54.95 -60.84 2.81 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.234 -0.916 . . . . 0.0 109.547 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.484 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -131.51 -166.21 1.68 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -1.137 . . . . 0.0 109.498 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.555 ' CZ ' ' CD ' ' C' ' 333' ' ' ARG . 13.6 m-85 -111.38 109.62 19.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.219 -0.926 . . . . 0.0 109.485 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.606 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 33.6 m-85 -97.17 174.0 6.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.156 -0.965 . . . . 0.0 109.354 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.96 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -130.56 136.41 48.89 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.71 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.679 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -119.13 89.49 3.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.31 -0.869 . . . . 0.0 108.897 179.551 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.534 ' HG3' HG23 ' C' ' 329' ' ' THR . 3.0 mt-30 -82.18 112.12 18.92 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.235 -0.916 . . . . 0.0 109.76 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.21 136.86 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.182 -0.949 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.522 ' CD ' ' CZ ' ' C' ' 327' ' ' TYR . 1.2 ttp85 -95.23 130.37 42.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.258 -0.901 . . . . 0.0 109.42 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 136.17 -124.24 3.17 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 0.7 OUTLIER 178.54 -52.15 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -1.124 . . . . 0.0 109.251 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.61 -50.62 62.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 108.939 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.694 ' HD3' HD22 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -56.03 -43.89 78.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.225 -0.922 . . . . 0.0 108.858 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.699 ' CE1' HD12 ' C' ' 330' ' ' LEU . 75.5 t80 -57.72 -37.84 74.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.293 -0.879 . . . . 0.0 109.056 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 9.1 mt-10 -61.78 -42.04 98.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 0.0 108.802 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 mtm -58.43 -51.65 68.95 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.561 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.3 m-85 -61.99 -24.41 67.01 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.324 -0.86 . . . . 0.0 109.105 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.1 mmt-85 -71.79 -28.35 63.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.331 -0.855 . . . . 0.0 108.904 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -78.27 -55.69 5.05 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.331 -0.855 . . . . 0.0 109.224 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.564 HD11 ' HE1' ' B' ' 341' ' ' PHE . 0.9 OUTLIER -55.22 -43.77 74.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.212 -0.93 . . . . 0.0 108.723 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' D' ' 341' ' ' PHE . 8.6 t-20 -65.49 -27.8 68.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.456 -0.777 . . . . 0.0 109.418 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 27.4 tt0 -70.42 -45.41 65.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 109.39 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.694 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -64.68 -47.61 77.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 109.203 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.715 HD22 ' HD3' ' C' ' 337' ' ' ARG . 20.8 mt -54.92 -55.78 26.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.197 -0.939 . . . . 0.0 108.841 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -56.76 -27.36 59.37 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.952 HD11 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -67.18 -38.33 85.21 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.477 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.531 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 15.9 ttpp -56.36 -39.94 73.71 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -28.16 66.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.571 -0.705 . . . . 0.0 109.457 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.84 -9.65 56.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 109.657 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.62 ' CD ' HD13 ' A' ' 350' ' ' LEU . 2.2 mt-30 -55.53 -59.91 4.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.179 -0.951 . . . . 0.0 109.606 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.535 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -102.62 166.6 10.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -1.091 . . . . 0.0 109.426 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.537 ' CE1' ' HD2' ' B' ' 333' ' ' ARG . 2.6 m-85 -104.17 127.71 51.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.612 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 37.4 m-85 -123.94 174.04 7.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -0.881 . . . . 0.0 109.194 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.105 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -134.85 132.02 38.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.0 109.901 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.825 HD12 ' HE1' ' B' ' 338' ' ' PHE . 0.2 OUTLIER -111.83 96.72 6.23 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.685 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 8.7 mt-30 -87.7 110.02 20.13 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.125 -0.985 . . . . 0.0 108.81 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.15 145.23 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.421 -0.799 . . . . 0.0 109.658 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.5 ' HD2' ' CE1' ' B' ' 327' ' ' TYR . 19.8 ttt-85 -111.59 89.11 2.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.366 -0.834 . . . . 0.0 109.225 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.22 -120.8 0.77 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -179.16 -45.21 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.25 -1.147 . . . . 0.0 109.324 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -73.96 -57.52 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.272 -0.893 . . . . 0.0 109.199 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.485 ' HD2' ' HB3' ' B' ' 348' ' ' LEU . 38.5 mtm-85 -51.26 -45.6 62.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.137 -0.977 . . . . 0.0 108.944 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.749 ' HE1' HD12 ' B' ' 330' ' ' LEU . 11.4 t80 -54.23 -38.67 65.97 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.319 -0.863 . . . . 0.0 109.322 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.96 -42.93 84.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.12 -0.987 . . . . 0.0 109.466 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.484 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 23.2 mtp -53.54 -55.6 24.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.867 . . . . 0.0 109.441 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -57.2 -32.85 66.89 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.854 0.835 . . . . 0.0 109.266 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -58.58 -42.35 87.83 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.39 0.614 . . . . 0.0 109.397 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.81 -47.78 70.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.289 -0.882 . . . . 0.0 109.649 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.715 HD12 HD12 ' D' ' 344' ' ' LEU . 0.7 OUTLIER -55.32 -44.91 76.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.393 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.451 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.3 m-20 -66.54 -25.27 66.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.319 -0.863 . . . . 0.0 109.894 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -57.34 6.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.311 -0.868 . . . . 0.0 109.983 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.523 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -65.85 -48.32 72.0 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.321 -0.862 . . . . 0.0 110.228 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 344' ' ' LEU . 31.6 mt -50.89 -49.8 58.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 109.209 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.39 -31.88 71.8 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.235 -0.915 . . . . 0.0 108.946 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.013 HD13 ' NE2' ' D' ' 354' ' ' GLN . 0.1 OUTLIER -73.91 -21.63 59.99 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 120.879 -1.138 . . . . 0.0 108.673 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.574 ' HA ' HD21 ' D' ' 350' ' ' LEU . 7.0 ttpt -66.39 -43.43 85.85 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -30.91 70.12 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.93 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -93.69 32.27 1.44 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.883 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.696 ' NE2' HD13 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -125.4 71.76 1.23 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.202 -0.936 . . . . 0.0 109.658 -179.64 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.648 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -102.78 166.21 10.61 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -1.139 . . . . 0.0 109.495 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.5 ' CE1' ' HD2' ' A' ' 333' ' ' ARG . 2.7 m-85 -103.68 127.61 51.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.236 -0.915 . . . . 0.0 109.509 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 37.5 m-85 -125.15 169.91 11.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.31 -0.869 . . . . 0.0 109.388 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.105 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -129.39 139.63 51.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.299 -0.876 . . . . 0.0 109.755 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.749 HD12 ' HE1' ' A' ' 338' ' ' PHE . 0.2 OUTLIER -119.14 87.89 2.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.505 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 7.9 mt-30 -79.37 110.37 14.6 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.176 -0.952 . . . . 0.0 109.752 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.05 145.55 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -0.841 . . . . 0.0 109.176 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.537 ' HD2' ' CE1' ' A' ' 327' ' ' TYR . 19.6 ttt-85 -111.96 88.43 2.8 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.222 -0.924 . . . . 0.0 109.263 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.03 -120.6 0.75 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -179.02 -44.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.252 -1.146 . . . . 0.0 109.349 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -73.81 -57.53 3.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.91 . . . . 0.0 109.156 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.436 ' HD2' ' HB3' ' A' ' 348' ' ' LEU . 38.6 mtm-85 -51.26 -47.07 62.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.158 -0.964 . . . . 0.0 109.081 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.825 ' HE1' HD12 ' A' ' 330' ' ' LEU . 11.4 t80 -53.05 -38.74 62.7 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.377 -0.827 . . . . 0.0 109.254 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.95 -44.02 81.68 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.151 -0.968 . . . . 0.0 109.205 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.465 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 26.2 mtp -53.45 -56.23 18.67 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.284 -0.885 . . . . 0.0 108.901 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -56.97 -29.61 63.37 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.47 -0.769 . . . . 0.0 109.035 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -61.7 -42.07 98.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.447 -0.783 . . . . 0.0 109.601 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.32 -47.84 72.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.28 -0.887 . . . . 0.0 109.823 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.674 HD12 HD12 ' C' ' 344' ' ' LEU . 0.9 OUTLIER -55.79 -44.53 77.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.177 -0.952 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.489 HD21 ' HA ' ' B' ' 345' ' ' ASN . 0.0 OUTLIER -65.55 -26.61 67.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 109.764 -179.647 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -60.86 2.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.237 -0.914 . . . . 0.0 109.794 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.563 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -62.25 -49.65 74.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.23 -0.919 . . . . 0.0 109.955 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.485 ' HB3' ' HD2' ' A' ' 337' ' ' ARG . 33.4 mt -50.04 -49.83 49.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.155 -0.965 . . . . 0.0 109.684 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -61.59 -34.34 75.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.18 -0.95 . . . . 0.0 109.159 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.968 HD12 ' O ' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -70.64 -22.54 62.5 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.256 -0.903 . . . . 0.0 108.913 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.639 ' HA ' HD21 ' C' ' 350' ' ' LEU . 7.4 ttpt -66.53 -41.88 88.08 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 0.0 108.907 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -27.05 64.07 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.372 -0.83 . . . . 0.0 108.998 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -96.64 30.8 2.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 0.0 109.383 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.824 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -124.75 73.03 1.24 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.133 -0.979 . . . . 0.0 109.635 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.437 179.794 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -102.81 166.56 10.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -1.121 . . . . 0.0 109.478 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.531 ' CE1' ' HD2' ' D' ' 333' ' ' ARG . 2.7 m-85 -104.12 127.56 51.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.26 -0.9 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 38.0 m-85 -123.91 173.33 8.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 0.0 109.353 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.036 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -133.3 134.95 44.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.0 109.775 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.832 HD12 ' HE1' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -115.3 89.42 3.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 108.832 179.56 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 8.0 mt-30 -80.3 110.94 16.21 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.118 -0.989 . . . . 0.0 109.754 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.93 145.97 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.881 . . . . 0.0 109.387 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.522 ' HD2' ' CE1' ' D' ' 327' ' ' TYR . 18.9 ttt-85 -112.17 88.6 2.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.178 -0.951 . . . . 0.0 109.467 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.54 -120.53 0.75 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -178.9 -45.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.268 -1.136 . . . . 0.0 109.268 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -73.18 -58.09 3.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.297 -0.877 . . . . 0.0 109.188 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.517 ' HD2' ' HB3' ' D' ' 348' ' ' LEU . 40.0 mtm-85 -50.82 -46.43 59.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.271 -0.893 . . . . 0.0 109.077 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.843 ' HE1' HD12 ' D' ' 330' ' ' LEU . 11.1 t80 -53.48 -39.24 64.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.501 -0.749 . . . . 0.0 109.39 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.54 -43.82 84.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.259 -0.901 . . . . 0.0 109.212 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.484 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 26.6 mtp -53.55 -55.58 24.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -0.883 . . . . 0.0 108.798 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' D' ' 344' ' ' LEU . 17.2 m-85 -57.61 -29.25 64.35 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.432 -0.792 . . . . 0.0 109.14 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -62.07 -41.99 98.73 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.497 -0.752 . . . . 0.0 109.676 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.46 -48.01 71.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.244 -0.91 . . . . 0.0 109.621 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.674 HD12 HD12 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -55.59 -44.23 76.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.247 -0.908 . . . . 0.0 109.376 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.478 HD21 ' HA ' ' C' ' 345' ' ' ASN . 0.0 OUTLIER -66.77 -25.85 66.68 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.196 -0.94 . . . . 0.0 109.83 -179.644 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.81 -60.32 2.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 0.0 109.928 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -62.54 -48.98 77.11 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.28 -0.887 . . . . 0.0 109.92 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.525 ' HB3' ' HD2' ' D' ' 337' ' ' ARG . 32.7 mt -51.02 -49.87 59.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.077 -1.015 . . . . 0.0 109.644 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.25 -34.05 74.53 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.258 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.964 ' O ' HD12 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -70.86 -22.51 62.29 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.296 -0.877 . . . . 0.0 108.926 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.657 ' HA ' HD21 ' B' ' 350' ' ' LEU . 7.2 ttpt -66.56 -41.44 88.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.337 -0.852 . . . . 0.0 109.028 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -26.91 63.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.347 -0.846 . . . . 0.0 109.097 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -96.88 31.22 2.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.332 -0.855 . . . . 0.0 109.438 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.913 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -125.3 73.18 1.29 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.164 -0.96 . . . . 0.0 109.596 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.383 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.639 -1.385 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -102.72 166.18 10.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -1.15 . . . . 0.0 109.501 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.522 ' CE1' ' HD2' ' C' ' 333' ' ' ARG . 2.7 m-85 -103.88 127.49 51.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 0.0 109.57 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 39.6 m-85 -123.96 173.23 8.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 109.288 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.036 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -133.12 134.71 44.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.142 -0.974 . . . . 0.0 109.929 -179.828 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.843 HD12 ' HE1' ' C' ' 338' ' ' PHE . 0.2 OUTLIER -115.14 89.31 3.07 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 8.1 mt-30 -80.34 110.8 16.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.167 -0.958 . . . . 0.0 109.684 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.61 145.78 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 0.0 109.431 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.531 ' HD2' ' CE1' ' C' ' 327' ' ' TYR . 19.9 ttt-85 -111.9 88.8 2.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.212 -0.93 . . . . 0.0 109.626 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.12 -120.79 0.77 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -178.41 -45.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -1.139 . . . . 0.0 109.345 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.23 -57.93 3.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.914 . . . . 0.0 109.221 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.525 ' HD2' ' HB3' ' C' ' 348' ' ' LEU . 39.9 mtm-85 -51.03 -46.12 61.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.178 -0.951 . . . . 0.0 109.109 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.832 ' HE1' HD12 ' C' ' 330' ' ' LEU . 11.3 t80 -53.84 -38.87 65.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.369 -0.832 . . . . 0.0 109.235 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.81 -43.82 82.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.259 -0.9 . . . . 0.0 109.156 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.465 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 27.2 mtp -53.56 -56.07 20.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.184 -0.947 . . . . 0.0 108.853 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' C' ' 344' ' ' LEU . 17.3 m-85 -57.1 -29.12 63.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.505 -0.747 . . . . 0.0 109.127 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -62.29 -42.09 99.05 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.432 -0.793 . . . . 0.0 109.666 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.416 ' HB3' ' HE1' ' B' ' 340' ' ' MET . 2.6 tp10 -66.29 -47.98 71.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.0 109.783 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -55.41 -44.77 76.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 109.386 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.425 HD21 ' HA ' ' D' ' 345' ' ' ASN . 0.0 OUTLIER -66.12 -25.81 67.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.251 -0.905 . . . . 0.0 109.907 -179.527 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -60.52 2.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.872 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.571 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -62.23 -49.81 74.25 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.926 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.517 ' HB3' ' HD2' ' C' ' 337' ' ' ARG . 33.8 mt -50.21 -49.92 51.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.161 -0.962 . . . . 0.0 109.645 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.35 -34.32 75.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.239 -0.913 . . . . 0.0 109.229 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.949 ' O ' HD12 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -70.48 -22.76 62.63 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.381 -0.825 . . . . 0.0 108.819 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.664 ' HA ' HD21 ' A' ' 350' ' ' LEU . 7.4 ttpt -66.44 -41.35 89.26 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.365 -0.835 . . . . 0.0 109.069 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -26.69 63.28 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.354 -0.841 . . . . 0.0 108.977 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -97.0 30.85 2.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 0.0 109.611 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 1.013 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -125.15 73.05 1.27 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.392 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -133.61 -165.61 1.66 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.327 -1.102 . . . . 0.0 109.468 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.467 ' CZ ' ' HD3' ' B' ' 333' ' ' ARG . 29.9 m-85 -99.61 115.01 28.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.37 -0.831 . . . . 0.0 109.672 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.499 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 32.9 m-85 -111.83 132.48 54.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.212 -0.93 . . . . 0.0 109.099 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.113 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -99.88 113.63 26.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 110.046 -179.415 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 0.5 OUTLIER -95.93 92.49 6.52 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.434 ' CG ' HG23 ' B' ' 329' ' ' THR . 32.0 mt-30 -87.37 111.4 21.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.937 -1.102 . . . . 0.0 108.771 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 6.4 mt -111.97 120.25 61.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.358 -0.839 . . . . 0.0 109.925 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.447 ' HD3' ' CZ ' ' B' ' 327' ' ' TYR . 9.7 ttm180 -79.87 93.87 5.73 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 178.19 -131.11 1.69 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.314 -1.515 . . . . 0.0 109.314 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 1.7 ttt180 179.23 -61.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -1.15 . . . . 0.0 109.556 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.61 -39.98 93.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.693 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.629 ' CD ' HD13 ' B' ' 348' ' ' LEU . 6.7 mtm105 -72.34 -24.87 61.36 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.946 -1.096 . . . . 0.0 108.666 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' B' ' 330' ' ' LEU . 40.5 t80 -67.6 -32.0 72.43 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.316 -0.865 . . . . 0.0 108.733 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 23.8 mt-10 -72.43 -48.5 40.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.292 -0.88 . . . . 0.0 109.233 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.495 ' O ' HD22 ' A' ' 344' ' ' LEU . 2.9 mtm -48.77 -54.98 12.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.654 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' B' ' 344' ' ' LEU . 8.6 m-85 -63.33 -35.5 80.6 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 121.68 0.752 . . . . 0.0 109.455 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -32.27 69.47 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -74.61 -52.01 12.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 109.56 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.8 mm? -55.12 -37.69 67.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.929 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.462 ' OD1' ' CE2' ' B' ' 341' ' ' PHE . 0.4 OUTLIER -75.72 -25.05 56.28 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.356 -0.84 . . . . 0.0 109.204 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.29 -44.38 71.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.332 -0.855 . . . . 0.0 109.711 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 1.008 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -68.6 -49.19 61.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.19 -0.944 . . . . 0.0 109.627 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' D' ' 347' ' ' ALA . 57.1 mt -53.53 -46.67 70.23 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.33 -31.3 71.9 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.019 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -67.7 -27.13 66.56 Favored 'General case' 0 C--N 1.311 -1.08 0 O-C-N 121.042 -1.036 . . . . 0.0 108.465 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.743 ' HD2' HD22 ' D' ' 350' ' ' LEU . 4.2 tptt -65.76 -42.5 90.82 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.95 -40.66 89.78 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.641 -0.824 . . . . 0.0 108.897 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.56 -16.16 60.82 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.293 -0.879 . . . . 0.0 109.634 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.551 ' HG3' ' CD1' ' D' ' 350' ' ' LEU . 0.0 OUTLIER -68.62 102.2 1.44 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.507 -0.746 . . . . 0.0 109.613 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.54 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -133.86 -166.37 1.78 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.177 -1.19 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.447 ' CZ ' ' HD3' ' A' ' 333' ' ' ARG . 32.4 m-85 -98.81 115.87 29.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.495 -0.753 . . . . 0.0 109.638 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 338' ' ' PHE . 30.9 m-85 -112.89 131.52 55.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.405 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.113 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -98.29 121.23 39.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.168 -0.958 . . . . 0.0 109.469 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -103.98 77.44 1.44 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.531 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.445 ' CG ' HG23 ' A' ' 329' ' ' THR . 32.1 mt-30 -73.99 112.41 10.1 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.368 -0.833 . . . . 0.0 109.978 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.51 122.93 67.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.3 -0.875 . . . . 0.0 109.004 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 327' ' ' TYR . 10.5 ttm180 -83.24 89.79 7.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.883 . . . . 0.0 108.926 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . -178.35 -130.08 1.37 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 1.8 ttt180 179.49 -60.89 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.202 -1.175 . . . . 0.0 109.564 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.59 -40.36 91.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 109.639 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.586 ' CD ' HD13 ' A' ' 348' ' ' LEU . 7.6 mtm105 -72.29 -25.75 61.71 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.074 -1.016 . . . . 0.0 109.171 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 40.3 t80 -67.14 -31.55 72.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.333 -0.854 . . . . 0.0 108.752 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 22.3 mt-10 -72.91 -49.54 29.02 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.418 -0.801 . . . . 0.0 109.034 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.492 ' O ' HD22 ' B' ' 344' ' ' LEU . 3.5 mtm -48.84 -56.02 9.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.309 -0.869 . . . . 0.0 109.032 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 344' ' ' LEU . 11.8 m-85 -62.95 -32.27 73.55 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.503 -0.748 . . . . 0.0 109.396 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -62.04 -31.21 71.59 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.375 -179.615 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.74 -52.64 10.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.282 -0.886 . . . . 0.0 109.763 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.796 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.5 mm? -54.7 -38.53 67.15 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.187 -0.945 . . . . 0.0 109.168 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.425 ' CG ' ' CE2' ' A' ' 341' ' ' PHE . 0.5 OUTLIER -73.92 -26.01 60.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.398 -0.814 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.29 -44.88 70.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.349 -0.845 . . . . 0.0 109.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.969 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -67.17 -51.44 53.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.257 -0.902 . . . . 0.0 109.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.911 HD23 ' HB2' ' C' ' 347' ' ' ALA . 57.8 mt -52.23 -45.99 65.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.184 -0.948 . . . . 0.0 108.796 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.18 -32.4 73.79 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.016 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -65.54 -28.98 69.56 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.772 ' HD2' HD22 ' C' ' 350' ' ' LEU . 4.4 tptt -64.21 -42.85 96.43 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.68 -40.35 87.55 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.459 -0.776 . . . . 0.0 109.042 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.7 -16.6 60.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.296 -0.878 . . . . 0.0 109.313 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.514 ' HG3' ' CD1' ' C' ' 350' ' ' LEU . 0.0 OUTLIER -68.67 103.26 1.68 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.241 -0.912 . . . . 0.0 109.545 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.045 -0.979 . . . . 0.0 109.454 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -133.71 -165.17 1.59 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -1.174 . . . . 0.0 109.631 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.504 ' CZ ' ' HD3' ' D' ' 333' ' ' ARG . 30.7 m-85 -100.08 115.23 29.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.558 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.486 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 31.5 m-85 -111.81 132.75 54.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.199 -0.938 . . . . 0.0 109.271 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.046 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -99.94 116.36 31.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 110.004 -179.5 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.549 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -99.18 80.75 2.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.266 -0.896 . . . . 0.0 108.814 179.318 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.442 ' CG ' HG23 ' D' ' 329' ' ' THR . 32.8 mt-30 -76.55 112.93 13.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.0 109.837 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.65 121.06 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 109.393 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.487 ' HD3' ' CZ ' ' D' ' 327' ' ' TYR . 10.0 ttm180 -81.02 91.07 6.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.894 . . . . 0.0 109.312 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . -179.36 -130.52 1.47 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 1.8 ttt180 179.51 -61.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -1.098 . . . . 0.0 109.482 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.47 -40.28 90.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.251 -0.905 . . . . 0.0 109.652 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.55 ' CD ' HD13 ' D' ' 348' ' ' LEU . 7.5 mtm105 -72.47 -25.28 61.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.109 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 42.1 t80 -67.52 -31.9 72.32 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.227 -0.921 . . . . 0.0 108.79 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 22.3 mt-10 -72.35 -49.5 33.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.818 . . . . 0.0 108.998 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.459 ' O ' HD22 ' C' ' 344' ' ' LEU . 3.4 mtm -48.82 -55.18 12.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.327 -0.858 . . . . 0.0 108.957 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' D' ' 344' ' ' LEU . 11.7 m-85 -63.5 -31.62 72.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.431 -0.793 . . . . 0.0 109.516 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.418 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -62.94 -30.38 71.52 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.264 -0.898 . . . . 0.0 109.46 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -75.11 -52.69 10.39 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.132 -0.98 . . . . 0.0 109.532 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.796 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.6 mm? -55.07 -38.76 68.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.475 ' CG ' ' CE2' ' D' ' 341' ' ' PHE . 0.5 OUTLIER -74.13 -25.27 59.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.834 . . . . 0.0 109.226 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.27 -44.44 68.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.358 -0.839 . . . . 0.0 109.468 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.946 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -67.6 -49.54 62.6 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.241 -0.912 . . . . 0.0 109.29 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.838 HD23 ' HB2' ' B' ' 347' ' ' ALA . 57.7 mt -54.34 -45.54 72.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.057 -1.027 . . . . 0.0 108.739 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -63.27 -31.95 73.23 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.016 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -66.04 -29.47 69.83 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.367 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.83 ' HD2' HD22 ' B' ' 350' ' ' LEU . 4.3 tptt -63.64 -42.3 98.15 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.31 -40.2 89.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.336 -0.852 . . . . 0.0 109.207 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.88 -16.14 60.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.361 -0.837 . . . . 0.0 109.309 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.55 ' HG3' ' CD1' ' B' ' 350' ' ' LEU . 0.0 OUTLIER -69.27 103.91 2.08 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.307 -0.871 . . . . 0.0 109.54 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.544 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -133.48 -165.13 1.58 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.195 -1.18 . . . . 0.0 109.704 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' C' ' 333' ' ' ARG . 31.1 m-85 -100.26 115.08 29.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.626 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.507 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 31.9 m-85 -111.64 132.85 54.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.158 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.046 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -100.11 116.24 31.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.307 -0.871 . . . . 0.0 109.943 -179.494 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.558 ' HG ' ' CZ ' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -99.05 80.66 2.49 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.301 -0.874 . . . . 0.0 108.799 179.324 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.456 ' CG ' HG23 ' C' ' 329' ' ' THR . 32.8 mt-30 -76.4 112.86 13.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.883 . . . . 0.0 109.826 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 5.8 mt -113.38 120.91 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.344 -0.847 . . . . 0.0 109.469 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.504 ' HD3' ' CZ ' ' C' ' 327' ' ' TYR . 10.1 ttm180 -80.95 91.08 5.98 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.9 . . . . 0.0 109.432 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . -179.5 -130.68 1.5 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 1.8 ttt180 179.89 -60.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.278 -1.13 . . . . 0.0 109.491 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.56 -40.2 90.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.623 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.538 ' CD ' HD13 ' C' ' 348' ' ' LEU . 7.2 mtm105 -72.54 -25.42 61.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.087 -1.008 . . . . 0.0 109.071 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.549 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 41.9 t80 -67.34 -31.98 72.62 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.295 -0.878 . . . . 0.0 108.778 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 22.5 mt-10 -72.28 -49.54 33.97 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.301 -0.875 . . . . 0.0 108.9 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.467 ' HA ' ' SD ' ' B' ' 340' ' ' MET . 3.5 mtm -48.66 -55.53 11.03 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.234 -0.916 . . . . 0.0 109.025 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 11.5 m-85 -63.26 -31.63 72.83 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.485 -0.759 . . . . 0.0 109.555 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.4 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -62.81 -30.55 71.57 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.295 -0.878 . . . . 0.0 109.562 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.405 ' HB3' ' HE1' ' B' ' 340' ' ' MET . 16.9 tp10 -75.26 -52.16 11.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.197 -0.939 . . . . 0.0 109.615 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.5 mm? -55.28 -38.71 68.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.149 -0.969 . . . . 0.0 109.215 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.501 ' CG ' ' CE2' ' C' ' 341' ' ' PHE . 0.5 OUTLIER -74.34 -25.09 59.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 0.0 109.251 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.08 -45.02 67.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.323 -0.861 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.977 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -66.84 -51.47 55.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.166 -0.959 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 347' ' ' ALA . 59.9 mt -52.43 -46.08 66.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.225 -0.922 . . . . 0.0 108.807 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.95 -32.52 73.84 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.019 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -65.37 -29.15 69.84 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.362 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.871 ' HD2' HD22 ' A' ' 350' ' ' LEU . 4.2 tptt -64.29 -42.59 96.31 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.92 -39.68 86.29 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.325 -0.86 . . . . 0.0 109.079 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.43 -16.73 60.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.355 -0.841 . . . . 0.0 109.325 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.53 ' HG3' ' CD1' ' A' ' 350' ' ' LEU . 0.0 OUTLIER -68.97 103.9 1.95 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.285 -0.884 . . . . 0.0 109.534 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.475 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.294 0.569 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 10.7 m-85 -112.45 130.06 56.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.258 -0.901 . . . . 0.0 109.305 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.592 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 96.4 m-85 -123.37 154.04 39.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 0.0 109.556 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.035 HG22 HG22 ' B' ' 329' ' ' THR . 0.3 OUTLIER -108.02 134.55 50.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.354 -0.841 . . . . 0.0 109.5 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.582 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -116.32 95.13 4.93 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.2 OUTLIER -89.92 112.57 23.99 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.212 -0.93 . . . . 0.0 109.009 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.473 HG12 ' OD1' ' B' ' 345' ' ' ASN . 3.2 mt -113.04 149.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.343 -0.848 . . . . 0.0 109.982 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -93.71 148.8 21.78 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.64 -147.92 18.91 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 18.9 ttt180 -158.85 -49.27 0.06 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -1.132 . . . . 0.0 109.368 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.29 -48.62 49.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 0.0 109.431 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.976 ' HD2' HD13 ' B' ' 348' ' ' LEU . 23.7 mtm-85 -53.62 -43.36 68.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.176 -0.952 . . . . 0.0 109.234 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.581 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 79.2 t80 -57.0 -35.55 69.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.228 -0.92 . . . . 0.0 109.106 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 21.9 mt-10 -66.08 -39.31 89.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 108.984 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.534 ' O ' HD22 ' A' ' 344' ' ' LEU . 9.4 mtm -54.78 -57.49 11.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 0.0 109.398 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' B' ' 344' ' ' LEU . 9.7 m-85 -58.26 -36.03 72.65 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.672 0.749 . . . . 0.0 109.521 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -35.71 76.76 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.0 -47.77 64.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.0 109.104 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.858 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.9 mm? -58.05 -35.15 70.91 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.259 -0.901 . . . . 0.0 108.775 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.469 ' OD1' HG12 ' B' ' 332' ' ' ILE . 7.0 m-20 -81.05 -19.64 43.37 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.329 -0.857 . . . . 0.0 109.264 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.4 -39.12 71.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.415 -0.803 . . . . 0.0 109.05 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.556 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -74.98 -45.84 39.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.339 -0.851 . . . . 0.0 108.922 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.966 HD13 ' HD2' ' B' ' 337' ' ' ARG . 69.3 mt -53.44 -48.14 69.06 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -32.14 71.29 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 1.13 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.63 -30.65 71.38 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 29.7 tttm -61.52 -45.89 92.29 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -22.14 66.43 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.555 -0.716 . . . . 0.0 109.633 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.61 130.18 56.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.581 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 95.8 m-85 -123.64 153.99 39.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.189 -0.944 . . . . 0.0 109.753 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.035 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -106.84 140.1 40.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.186 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.9 OUTLIER -121.38 86.59 2.6 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.294 -0.879 . . . . 0.0 108.978 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -82.3 113.23 19.96 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.277 -0.89 . . . . 0.0 109.68 -179.587 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.469 HG12 ' OD1' ' A' ' 345' ' ' ASN . 3.2 mt -114.21 148.81 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.252 -0.905 . . . . 0.0 109.699 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.418 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 2.1 ttp85 -92.95 149.54 21.17 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.293 -0.879 . . . . 0.0 109.056 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.28 -147.94 18.78 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 18.8 ttt180 -158.35 -48.7 0.06 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.262 -1.14 . . . . 0.0 109.493 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -71.28 -48.21 52.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.277 -0.89 . . . . 0.0 109.503 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.966 ' HD2' HD13 ' A' ' 348' ' ' LEU . 21.8 mtm-85 -53.91 -43.58 69.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.181 -0.949 . . . . 0.0 109.406 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 79.3 t80 -57.03 -34.92 68.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.912 . . . . 0.0 109.121 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 18.7 mt-10 -66.59 -40.03 88.71 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.258 -0.901 . . . . 0.0 109.003 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.534 ' O ' HD22 ' B' ' 344' ' ' LEU . 11.9 mtm -55.39 -58.18 8.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 108.833 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.513 ' CE1' ' HB2' ' A' ' 344' ' ' LEU . 12.3 m-85 -57.42 -34.26 68.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.47 -0.768 . . . . 0.0 109.266 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -35.0 77.94 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.389 -0.82 . . . . 0.0 109.344 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.409 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 1.1 tp10 -69.02 -48.2 63.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 109.144 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.861 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.9 mm? -58.69 -33.06 69.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.188 -0.945 . . . . 0.0 108.703 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.473 ' OD1' HG12 ' A' ' 332' ' ' ILE . 7.8 m-20 -82.36 -20.5 37.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.447 -0.783 . . . . 0.0 108.994 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.85 -39.14 73.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.38 -0.825 . . . . 0.0 108.921 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.576 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -74.09 -47.52 35.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 108.849 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.976 HD13 ' HD2' ' A' ' 337' ' ' ARG . 66.1 mt -52.57 -47.56 66.76 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -34.04 73.9 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.38 -31.0 72.04 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 30.0 tttm -61.73 -44.87 96.09 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -21.07 65.81 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.411 0 O-C-N 121.421 -0.8 . . . . 0.0 109.346 179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.318 0.58 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 10.6 m-85 -112.51 130.3 56.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.598 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 96.7 m-85 -123.34 155.0 38.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.189 -0.945 . . . . 0.0 109.68 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.948 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -108.39 136.31 48.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.892 . . . . 0.0 109.572 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.586 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.9 OUTLIER -117.83 88.73 2.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.917 . . . . 0.0 109.301 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -84.17 112.91 20.68 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.276 -0.89 . . . . 0.0 109.577 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.472 HG12 ' OD1' ' D' ' 345' ' ' ASN . 3.2 mt -113.88 149.44 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.91 . . . . 0.0 109.768 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.5 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 2.2 ttp85 -93.47 149.36 21.29 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.293 -0.88 . . . . 0.0 109.193 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.28 -147.4 18.77 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 18.9 ttt180 -158.76 -48.67 0.06 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -1.198 . . . . 0.0 109.512 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -71.24 -48.47 50.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.226 -0.921 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.956 ' HD2' HD13 ' D' ' 348' ' ' LEU . 22.0 mtm-85 -53.89 -43.05 69.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 109.426 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.613 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 79.8 t80 -57.41 -35.27 69.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.249 -0.907 . . . . 0.0 109.121 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 18.9 mt-10 -66.15 -39.78 90.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.32 -0.863 . . . . 0.0 108.992 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.522 ' O ' HD22 ' C' ' 344' ' ' LEU . 11.6 mtm -55.44 -57.63 11.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.235 -0.916 . . . . 0.0 108.764 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.529 ' CE1' ' HB2' ' D' ' 344' ' ' LEU . 12.3 m-85 -57.81 -33.76 68.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.499 -0.75 . . . . 0.0 109.426 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.53 77.77 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.429 -0.795 . . . . 0.0 109.408 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.52 -48.19 61.32 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.22 -0.925 . . . . 0.0 109.014 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.8 mm? -58.61 -33.06 69.6 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 108.753 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.467 ' OD1' HG12 ' D' ' 332' ' ' ILE . 6.9 m-20 -82.77 -20.37 36.0 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 109.036 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -71.52 -38.59 71.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.387 -0.821 . . . . 0.0 108.884 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.574 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -74.66 -45.84 41.98 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.408 -0.807 . . . . 0.0 108.872 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.947 HD13 ' HD2' ' D' ' 337' ' ' ARG . 63.6 mt -54.45 -47.15 73.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.137 -0.977 . . . . 0.0 108.394 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.83 -34.48 74.61 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -62.73 -31.2 72.09 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.523 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 29.9 tttm -61.39 -44.74 96.64 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -20.36 65.51 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.445 0 O-C-N 121.502 -0.749 . . . . 0.0 109.259 179.807 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.301 0.572 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.5 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 10.9 m-85 -112.71 130.13 56.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 109.451 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.613 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 96.8 m-85 -123.18 154.57 38.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 0.0 109.599 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.948 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -108.12 136.16 48.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.507 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.9 OUTLIER -117.7 88.76 2.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.866 . . . . 0.0 109.294 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -84.11 113.02 20.75 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.898 . . . . 0.0 109.524 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.467 HG12 ' OD1' ' C' ' 345' ' ' ASN . 3.2 mt -113.92 149.57 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.236 -0.915 . . . . 0.0 109.683 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 2.2 ttp85 -93.59 149.25 21.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.378 -0.826 . . . . 0.0 109.253 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.38 -147.13 18.78 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 18.6 ttt180 -158.66 -49.05 0.06 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.179 -1.189 . . . . 0.0 109.462 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -70.91 -48.73 52.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.257 -0.902 . . . . 0.0 109.442 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.947 ' HD2' HD13 ' C' ' 348' ' ' LEU . 21.9 mtm-85 -53.71 -43.17 68.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.394 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.598 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 79.7 t80 -57.32 -35.29 69.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -0.939 . . . . 0.0 109.105 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 18.8 mt-10 -65.96 -40.32 91.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.32 -0.863 . . . . 0.0 108.936 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.48 ' O ' HD22 ' D' ' 344' ' ' LEU . 11.4 mtm -55.02 -57.66 10.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 0.0 108.873 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 12.2 m-85 -57.78 -33.67 68.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.425 -0.797 . . . . 0.0 109.419 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -34.71 78.18 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.423 -0.798 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.435 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 1.1 tp10 -69.19 -48.19 62.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.184 -0.948 . . . . 0.0 109.01 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.858 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.8 mm? -58.7 -33.18 69.89 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.302 -0.874 . . . . 0.0 108.846 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.472 ' OD1' HG12 ' C' ' 332' ' ' ILE . 7.1 m-20 -82.59 -20.19 36.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.419 -0.801 . . . . 0.0 109.006 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -71.39 -38.84 71.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.445 -0.784 . . . . 0.0 108.96 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.58 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -74.21 -47.33 36.18 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.956 HD13 ' HD2' ' C' ' 337' ' ' ARG . 64.0 mt -52.94 -47.25 68.19 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -34.44 74.95 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 1.13 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -62.46 -31.83 72.61 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.245 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.524 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 30.1 tttm -61.07 -45.28 95.38 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -20.5 65.95 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.813 . . . . 0.0 109.282 179.803 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -108.11 141.72 39.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.345 -0.847 . . . . 0.0 109.585 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 14.3 m-85 -139.47 148.25 42.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.348 -0.845 . . . . 0.0 109.131 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -109.41 136.98 47.95 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 109.958 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.595 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -118.91 96.13 5.12 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.45 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.791 ' HG2' HG23 ' B' ' 329' ' ' THR . 76.2 mt-30 -88.59 115.57 26.21 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.177 -0.952 . . . . 0.0 109.177 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mt -119.5 150.79 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.441 -0.787 . . . . 0.0 109.746 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -95.25 158.54 15.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.322 -0.861 . . . . 0.0 109.15 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 106.9 -127.12 8.71 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 19.8 ttt180 178.53 -49.13 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.273 -1.134 . . . . 0.0 109.268 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -55.82 8.69 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.281 -0.887 . . . . 0.0 109.458 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.589 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -51.7 -37.3 50.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.115 -0.99 . . . . 0.0 109.058 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.571 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 60.2 t80 -60.23 -47.1 87.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.256 -0.903 . . . . 0.0 109.377 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 14.5 mt-10 -62.8 -33.37 75.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.225 -0.922 . . . . 0.0 109.403 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 3.3 mtp -56.15 -55.42 33.24 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.962 0.887 . . . . 0.0 109.555 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.587 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 15.9 m-85 -59.55 -37.14 77.62 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.853 0.835 . . . . 0.0 108.915 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.515 ' HA ' ' ND2' ' A' ' 345' ' ' ASN . 4.1 ttt180 -50.48 -37.09 36.72 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 2.0 tp10 -72.92 -54.34 8.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.397 -0.814 . . . . 0.0 110.084 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' D' ' 344' ' ' LEU . 1.8 mm? -50.78 -60.39 3.11 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.897 -1.127 . . . . 0.0 109.289 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.515 ' ND2' ' HA ' ' A' ' 342' ' ' ARG . 0.8 OUTLIER -58.34 -23.48 56.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.049 -1.032 . . . . 0.0 109.381 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 343' ' ' GLU . 2.3 mt-10 -65.48 -43.88 88.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.171 -0.956 . . . . 0.0 109.7 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.685 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -72.87 -47.17 48.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.114 -0.991 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' D' ' 347' ' ' ALA . 84.4 mt -50.67 -45.87 58.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.145 -0.972 . . . . 0.0 108.563 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -62.94 -34.6 77.82 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 1.011 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -67.67 -22.4 65.3 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.354 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.542 ' CA ' HD21 ' D' ' 350' ' ' LEU . 3.6 ttpp -68.91 -42.86 76.29 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -38.98 93.17 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 120.049 -0.661 . . . . 0.0 109.433 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.147 -0.971 . . . . 0.0 109.631 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.46 141.44 43.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.185 -0.947 . . . . 0.0 109.399 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 14.3 m-85 -139.65 147.59 41.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.923 . . . . 0.0 109.54 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -107.15 144.28 34.12 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.227 -0.921 . . . . 0.0 109.47 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -125.99 86.01 2.47 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.66 ' HG2' HG23 ' A' ' 329' ' ' THR . 78.7 mt-30 -79.91 116.49 20.08 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 110.146 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.22 152.03 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.317 -0.864 . . . . 0.0 109.253 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -96.74 158.6 15.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 0.0 109.168 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 106.65 -126.92 8.66 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 20.1 ttt180 178.71 -49.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -1.119 . . . . 0.0 109.315 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -55.16 11.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 0.0 109.492 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.602 ' HD3' HD13 ' A' ' 348' ' ' LEU . 0.5 OUTLIER -52.21 -38.65 58.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 109.286 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.595 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 63.8 t80 -58.71 -48.42 81.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.286 -0.884 . . . . 0.0 109.295 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 12.0 mt-10 -62.28 -33.13 74.04 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.312 -0.867 . . . . 0.0 109.297 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.517 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 3.0 mtp -57.13 -55.85 29.36 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.339 -0.85 . . . . 0.0 108.971 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.587 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 21.6 m-85 -59.6 -34.66 73.03 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.377 -0.827 . . . . 0.0 108.897 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.517 ' HA ' ' ND2' ' B' ' 345' ' ' ASN . 4.3 ttt180 -52.96 -33.71 52.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.483 -0.761 . . . . 0.0 109.139 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.0 tp10 -75.82 -53.77 7.95 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 0.0 110.141 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.779 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.7 mm? -51.17 -59.29 4.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.95 -1.094 . . . . 0.0 109.14 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.517 ' ND2' ' HA ' ' B' ' 342' ' ' ARG . 0.7 OUTLIER -59.11 -23.02 61.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.173 -0.954 . . . . 0.0 109.153 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 2.1 mt-10 -66.86 -43.89 82.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 0.0 109.393 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.724 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -72.08 -48.64 42.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.182 -0.949 . . . . 0.0 109.36 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.79 HD23 ' HB2' ' C' ' 347' ' ' ALA . 84.8 mt -49.72 -46.38 50.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 109.005 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.89 -35.98 81.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.315 -0.866 . . . . 0.0 108.674 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 1.056 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -65.27 -24.06 67.21 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.298 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.57 ' CA ' HD21 ' C' ' 350' ' ' LEU . 3.6 ttpp -67.83 -42.05 82.07 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -38.11 89.87 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.444 -0.785 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.469 0 O-C-N 121.305 -0.872 . . . . 0.0 109.461 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.337 0.589 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.59 141.25 44.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.175 -0.953 . . . . 0.0 109.508 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 14.3 m-85 -138.93 148.37 43.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 1.043 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -108.94 139.53 43.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.18 -0.95 . . . . 0.0 109.771 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -121.69 88.54 2.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.339 -0.85 . . . . 0.0 108.887 179.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.714 ' HG2' HG23 ' D' ' 329' ' ' THR . 77.4 mt-30 -82.01 116.55 21.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.221 -0.924 . . . . 0.0 109.813 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.2 152.98 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 109.238 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.37 157.94 15.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 109.322 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 106.7 -126.98 8.68 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 20.2 ttt180 179.08 -49.1 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.17 -1.194 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.2 -55.46 10.55 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 109.452 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.542 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.5 OUTLIER -52.11 -38.57 57.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.17 -0.956 . . . . 0.0 109.201 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.573 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 62.2 t80 -58.79 -48.5 81.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.245 -0.91 . . . . 0.0 109.361 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 12.0 mt-10 -61.92 -33.18 73.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.213 -0.929 . . . . 0.0 109.261 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 3.1 mtp -57.02 -55.23 37.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.312 -0.868 . . . . 0.0 108.946 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' D' ' 344' ' ' LEU . 22.6 m-85 -60.1 -34.29 73.29 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.305 -0.872 . . . . 0.0 108.869 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.503 ' HA ' ' ND2' ' C' ' 345' ' ' ASN . 3.4 ttt180 -53.19 -32.93 50.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.38 -0.825 . . . . 0.0 109.29 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.0 tp10 -76.55 -53.75 7.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.359 -0.838 . . . . 0.0 110.076 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.7 mm? -51.3 -59.66 3.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.907 -1.121 . . . . 0.0 109.172 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.503 ' ND2' ' HA ' ' C' ' 342' ' ' ARG . 0.8 OUTLIER -59.36 -22.34 61.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.134 -0.979 . . . . 0.0 109.272 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' C' ' 343' ' ' GLU . 2.1 mt-10 -67.57 -44.1 79.03 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.287 -0.883 . . . . 0.0 109.325 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.79 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -72.13 -46.0 58.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.27 -0.894 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.724 HD23 ' HB2' ' B' ' 347' ' ' ALA . 84.5 mt -52.69 -46.02 67.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.032 -1.043 . . . . 0.0 108.972 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.68 -35.94 81.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.322 -0.861 . . . . 0.0 108.733 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 1.056 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -65.5 -23.72 66.96 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.422 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.6 ' CA ' HD21 ' B' ' 350' ' ' LEU . 3.7 ttpp -68.11 -41.69 81.41 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -37.64 88.31 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.487 -0.758 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.0 109.595 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.33 141.27 43.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -0.871 . . . . 0.0 109.393 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 14.2 m-85 -138.89 148.26 43.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.0 109.408 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 1.043 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -108.84 139.61 43.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -0.938 . . . . 0.0 109.834 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.573 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -121.79 88.47 2.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.314 -0.866 . . . . 0.0 108.911 179.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.719 ' HG2' HG23 ' C' ' 329' ' ' THR . 77.5 mt-30 -81.87 116.43 21.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.29 -0.882 . . . . 0.0 109.789 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.95 152.86 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.273 -0.892 . . . . 0.0 109.426 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.19 157.82 15.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.142 -0.974 . . . . 0.0 109.505 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 106.63 -126.91 8.66 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 19.9 ttt180 179.41 -49.15 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.222 -1.164 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.24 -55.6 10.05 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 0.0 109.433 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.542 ' HD3' HD13 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -51.99 -38.37 56.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.167 -0.958 . . . . 0.0 109.219 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.576 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 62.0 t80 -58.97 -48.59 80.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.27 -0.894 . . . . 0.0 109.323 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 11.8 mt-10 -61.82 -33.14 73.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -0.935 . . . . 0.0 109.172 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.517 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.1 mtp -57.17 -55.32 36.29 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.362 -0.836 . . . . 0.0 109.001 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 22.1 m-85 -59.92 -34.25 72.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.368 -0.833 . . . . 0.0 108.915 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.504 ' HA ' ' ND2' ' D' ' 345' ' ' ASN . 3.3 ttt180 -53.26 -32.84 50.48 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.334 -0.854 . . . . 0.0 109.303 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.0 tp10 -76.62 -53.63 7.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.341 -0.849 . . . . 0.0 110.073 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.731 ' HB3' HD12 ' A' ' 344' ' ' LEU . 1.5 mm? -51.46 -59.39 4.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.94 -1.1 . . . . 0.0 109.137 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.504 ' ND2' ' HA ' ' D' ' 342' ' ' ARG . 0.8 OUTLIER -59.52 -22.49 61.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.086 -1.009 . . . . 0.0 109.301 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' D' ' 343' ' ' GLU . 2.1 mt-10 -67.23 -43.92 80.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.305 -0.872 . . . . 0.0 109.35 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.782 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.81 -48.38 46.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.212 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.685 HD23 ' HB2' ' A' ' 347' ' ' ALA . 84.6 mt -50.18 -46.75 54.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.922 . . . . 0.0 109.05 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.37 -36.22 81.58 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 1.011 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -65.03 -24.32 67.45 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.613 ' CA ' HD21 ' A' ' 350' ' ' LEU . 3.8 ttpp -68.0 -41.66 81.92 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -37.5 87.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.422 -0.799 . . . . 0.0 109.274 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.376 -0.827 . . . . 0.0 109.579 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.598 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 5.4 m-85 -99.79 109.16 21.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.291 -0.881 . . . . 0.0 109.127 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.606 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 33.9 m-85 -108.8 162.76 13.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -0.933 . . . . 0.0 109.11 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.058 HG22 HG22 ' B' ' 329' ' ' THR . 0.3 OUTLIER -124.83 138.01 54.28 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.185 -0.947 . . . . 0.0 109.967 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.769 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -117.94 95.66 5.01 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.244 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.5 mt-30 -88.93 114.22 25.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.179 -0.951 . . . . 0.0 109.104 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 2.6 mp -110.76 128.35 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.402 -0.811 . . . . 0.0 109.535 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.586 ' HG2' ' CZ ' ' B' ' 327' ' ' TYR . 8.5 mtp180 -90.61 97.42 11.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.422 -0.799 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.06 -137.11 4.41 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.27 -51.03 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.261 -1.141 . . . . 0.0 109.298 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.17 -51.68 29.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.151 -0.968 . . . . 0.0 109.289 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.699 ' HD3' HD22 ' B' ' 348' ' ' LEU . 5.8 mtm180 -60.29 -36.63 78.29 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.222 -0.924 . . . . 0.0 108.817 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.781 ' CE1' HD12 ' B' ' 330' ' ' LEU . 88.5 t80 -63.27 -40.96 98.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.334 -0.854 . . . . 0.0 108.836 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 342' ' ' ARG . 1.9 mt-10 -63.59 -34.25 77.41 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 108.78 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.552 ' O ' HD22 ' A' ' 344' ' ' LEU . 15.2 mtp -55.98 -56.57 19.09 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.869 0.843 . . . . 0.0 109.203 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 8.7 m-85 -59.86 -34.16 72.76 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.882 0.848 . . . . 0.0 109.211 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 0.0 OUTLIER -55.96 -39.99 72.56 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.488 0.661 . . . . 0.0 109.272 179.76 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.529 ' HB3' ' HE1' ' C' ' 340' ' ' MET . 0.4 OUTLIER -71.15 -47.64 56.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.364 -0.835 . . . . 0.0 109.772 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.734 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.7 mm? -54.43 -60.64 3.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.94 . . . . 0.0 109.679 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.559 ' HA ' HD12 ' A' ' 348' ' ' LEU . 2.0 p30 -62.4 -19.93 63.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.164 -0.96 . . . . 0.0 109.771 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 7.2 tt0 -68.55 -47.91 65.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.128 -0.983 . . . . 0.0 109.639 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.785 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -69.37 -44.46 71.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.116 -0.99 . . . . 0.0 109.716 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.879 HD23 ' HB2' ' D' ' 347' ' ' ALA . 25.5 mt -54.19 -49.15 70.02 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.51 -31.06 69.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 1.037 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -69.11 -30.22 68.46 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.638 ' CA ' HD21 ' D' ' 350' ' ' LEU . 3.9 ttmt -58.37 -43.58 88.48 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.76 -23.81 60.87 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.812 -0.555 . . . . 0.0 109.526 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.297 -0.877 . . . . 0.0 110.17 -179.699 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.317 0.58 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.586 ' CZ ' ' HG2' ' A' ' 333' ' ' ARG . 5.2 m-85 -100.06 106.92 18.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.582 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 33.7 m-85 -107.55 161.33 14.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.122 -0.986 . . . . 0.0 109.458 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.058 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -122.39 144.65 48.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.19 -0.944 . . . . 0.0 109.634 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.781 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -124.39 87.03 2.65 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.335 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 3.0 mt-30 -80.82 115.2 20.19 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 110.073 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.59 128.07 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.383 -0.823 . . . . 0.0 109.09 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.598 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 8.6 mtp180 -90.6 96.98 10.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 109.434 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.58 -137.0 4.34 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.29 -51.15 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -1.157 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.96 -51.05 35.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.86 . . . . 0.0 109.332 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.649 ' HD3' HD22 ' A' ' 348' ' ' LEU . 6.2 mtm180 -61.15 -36.9 81.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.196 -0.94 . . . . 0.0 108.967 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.769 ' CE1' HD12 ' A' ' 330' ' ' LEU . 88.7 t80 -62.75 -41.4 99.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 0.0 108.947 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 2.0 mt-10 -63.28 -35.16 79.44 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.28 -0.887 . . . . 0.0 108.646 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.529 ' O ' HD22 ' B' ' 344' ' ' LEU . 17.1 mtp -55.95 -57.34 12.51 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 12.8 m-85 -59.49 -31.09 69.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.452 -0.78 . . . . 0.0 109.004 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.0 OUTLIER -59.39 -38.18 79.87 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.31 -0.869 . . . . 0.0 109.5 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.442 ' HB3' ' HE1' ' D' ' 340' ' ' MET . 0.4 OUTLIER -72.21 -47.57 49.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.356 -0.84 . . . . 0.0 109.719 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.77 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.7 mm? -54.4 -61.24 2.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.16 -0.963 . . . . 0.0 109.451 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.565 HD22 HD21 ' A' ' 330' ' ' LEU . 1.5 p30 -61.37 -19.6 62.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 109.8 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 7.5 tt0 -70.15 -48.24 58.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 0.0 109.537 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.858 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -68.21 -45.52 73.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.202 -0.936 . . . . 0.0 109.434 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.903 HD23 ' HB2' ' C' ' 347' ' ' ALA . 25.7 mt -53.58 -49.82 66.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 108.831 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.62 -34.08 70.76 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 1.057 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -65.11 -32.55 74.31 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.645 ' CA ' HD21 ' C' ' 350' ' ' LEU . 3.9 ttmt -56.86 -42.08 79.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -74.87 -21.74 59.07 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.431 -0.793 . . . . 0.0 109.373 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 109.728 -179.849 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.302 0.572 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.579 ' CZ ' ' HG2' ' D' ' 333' ' ' ARG . 5.3 m-85 -99.69 107.09 19.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -0.879 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 33.6 m-85 -107.28 162.34 13.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 109.444 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 1.045 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -124.13 140.93 52.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.162 -0.961 . . . . 0.0 109.922 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.791 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -121.22 87.59 2.78 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.337 -0.852 . . . . 0.0 108.74 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.1 mt-30 -81.09 115.77 20.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.252 -0.905 . . . . 0.0 109.97 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -112.23 128.71 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 0.0 109.257 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.59 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 8.6 mtp180 -90.93 97.23 11.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.543 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.01 -137.04 4.38 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.02 -51.33 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.312 -1.111 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.72 -51.41 34.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.178 -0.951 . . . . 0.0 109.246 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.693 ' HD3' HD22 ' D' ' 348' ' ' LEU . 6.1 mtm180 -60.9 -36.6 79.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.193 -0.942 . . . . 0.0 108.865 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.793 ' CE1' HD12 ' D' ' 330' ' ' LEU . 88.5 t80 -62.89 -42.07 99.65 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.354 -0.841 . . . . 0.0 108.913 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 2.0 mt-10 -62.63 -35.07 78.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.263 -0.898 . . . . 0.0 108.651 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.53 ' O ' HD22 ' C' ' 344' ' ' LEU . 17.9 mtp -56.07 -56.88 15.49 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.553 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 12.8 m-85 -59.79 -31.28 69.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.0 OUTLIER -59.19 -38.09 79.01 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.341 -0.85 . . . . 0.0 109.466 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.429 ' HB3' ' HE1' ' A' ' 340' ' ' MET . 0.4 OUTLIER -72.34 -47.17 51.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.233 -0.917 . . . . 0.0 109.694 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.7 mm? -54.7 -61.26 2.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.057 -1.027 . . . . 0.0 109.494 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.583 HD22 HD21 ' D' ' 330' ' ' LEU . 1.9 p30 -62.07 -18.9 62.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -0.97 . . . . 0.0 109.859 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 7.7 tt0 -70.51 -48.0 57.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.071 -1.018 . . . . 0.0 109.334 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.903 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -68.43 -44.88 73.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.858 HD23 ' HB2' ' B' ' 347' ' ' ALA . 26.5 mt -54.34 -50.05 68.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 108.914 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.26 -33.91 69.92 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.294 -0.879 . . . . 0.0 108.759 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 1.057 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -65.16 -32.91 74.83 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.407 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.654 ' CA ' HD21 ' B' ' 350' ' ' LEU . 3.9 ttmt -56.37 -42.06 77.2 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -75.04 -21.44 59.04 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.796 . . . . 0.0 109.391 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.697 -179.892 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.311 0.577 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.59 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 5.4 m-85 -100.05 106.9 18.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 109.297 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 33.3 m-85 -107.1 162.27 14.01 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.159 -0.963 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 1.045 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -124.07 140.93 52.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.185 -0.947 . . . . 0.0 109.904 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.793 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -121.1 87.66 2.79 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.404 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.2 mt-30 -81.13 115.71 20.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.358 -0.839 . . . . 0.0 109.908 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -112.09 128.38 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.409 -0.807 . . . . 0.0 109.255 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.579 ' HG2' ' CZ ' ' C' ' 327' ' ' TYR . 8.6 mtp180 -90.74 97.48 11.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.272 -0.892 . . . . 0.0 109.63 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.83 -137.19 4.47 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.77 -51.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -1.113 . . . . 0.0 109.308 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.53 -51.5 35.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.244 -0.91 . . . . 0.0 109.289 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.682 ' HD3' HD22 ' C' ' 348' ' ' LEU . 6.1 mtm180 -60.84 -36.65 79.65 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.116 -0.99 . . . . 0.0 108.866 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' C' ' 330' ' ' LEU . 88.1 t80 -62.98 -41.79 99.66 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.365 -0.835 . . . . 0.0 108.902 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' D' ' 342' ' ' ARG . 1.9 mt-10 -62.79 -35.21 79.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.303 -0.873 . . . . 0.0 108.652 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.496 ' O ' HD22 ' D' ' 344' ' ' LEU . 17.7 mtp -55.91 -57.32 12.56 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.553 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 13.1 m-85 -59.44 -31.09 68.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.489 -0.757 . . . . 0.0 109.003 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.0 OUTLIER -59.36 -37.99 79.28 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.34 -0.85 . . . . 0.0 109.427 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.451 ' HB3' ' HE1' ' B' ' 340' ' ' MET . 0.4 OUTLIER -72.39 -47.64 47.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.332 -0.855 . . . . 0.0 109.625 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.734 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.4 mm? -54.24 -61.49 2.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.0 109.514 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.589 HD22 HD21 ' C' ' 330' ' ' LEU . 1.8 p30 -61.72 -18.79 61.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.159 -0.963 . . . . 0.0 110.002 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 7.6 tt0 -70.35 -48.19 57.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.081 -1.012 . . . . 0.0 109.357 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.879 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -67.99 -45.92 72.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.264 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.785 HD23 ' HB2' ' A' ' 347' ' ' ALA . 26.9 mt -53.39 -50.07 65.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 108.952 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.56 -33.93 70.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 108.649 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 1.037 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -65.15 -32.74 74.59 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.31 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.678 ' CA ' HD21 ' A' ' 350' ' ' LEU . 3.9 ttmt -56.37 -42.32 77.64 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -74.89 -21.56 59.16 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.615 -0.678 . . . . 0.0 109.359 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.348 -0.845 . . . . 0.0 109.771 -179.811 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.33 109.85 20.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.264 -0.898 . . . . 0.0 109.363 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 59.7 m-85 -106.01 142.54 35.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.901 . . . . 0.0 109.377 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.99 HG22 HG22 ' B' ' 329' ' ' THR . 0.3 OUTLIER -99.86 132.32 45.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -0.943 . . . . 0.0 109.589 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -112.43 94.61 5.01 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.732 ' HG2' HG23 ' B' ' 329' ' ' THR . 37.7 mt-30 -88.43 122.19 31.64 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.161 -0.962 . . . . 0.0 108.935 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.447 HD11 HD21 ' B' ' 345' ' ' ASN . 4.9 mt -124.4 125.39 70.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.325 -0.859 . . . . 0.0 109.602 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 39.5 ttt-85 -85.74 100.04 11.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 109.148 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.39 -132.06 2.23 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -179.07 -49.82 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -1.12 . . . . 0.0 108.86 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.25 -44.15 63.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.778 ' HD2' HD13 ' B' ' 348' ' ' LEU . 17.0 mtm180 -67.16 -38.32 85.28 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.547 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 83.1 t80 -65.95 -32.68 74.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 0.0 108.804 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.23 -40.04 78.18 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.29 -0.881 . . . . 0.0 108.696 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 mtm -59.41 -51.59 69.24 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.784 0.802 . . . . 0.0 109.323 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.67 ' CE1' HD11 ' C' ' 344' ' ' LEU . 5.5 m-85 -62.86 -32.48 73.72 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 121.738 0.78 . . . . 0.0 109.218 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.421 ' HG3' ' CE2' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -65.35 -30.07 70.86 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.36 -50.94 10.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.189 -0.945 . . . . 0.0 109.361 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' C' ' 341' ' ' PHE . 1.0 OUTLIER -55.39 -38.44 68.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.161 -0.962 . . . . 0.0 108.722 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.538 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 3.3 m-20 -76.54 -24.24 53.62 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.489 -0.757 . . . . 0.0 109.291 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -70.27 -38.05 75.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.202 -0.936 . . . . 0.0 109.285 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.525 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -72.21 -44.63 62.65 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.121 -0.987 . . . . 0.0 109.323 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.749 HD13 ' HD2' ' B' ' 337' ' ' ARG . 29.8 mt -56.96 -49.59 75.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 108.586 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.49 -29.78 66.51 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.985 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.1 -31.29 67.59 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.54 ' CA ' HD21 ' D' ' 350' ' ' LEU . 10.7 ttmt -57.88 -39.49 77.96 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -76.78 -25.76 53.73 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.381 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.179 -0.95 . . . . 0.0 109.976 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.24 109.31 18.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.31 -0.869 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -105.9 142.34 35.77 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.206 -0.934 . . . . 0.0 109.639 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.99 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -98.47 139.25 34.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 0.0 109.218 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.547 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.8 OUTLIER -119.35 83.46 2.04 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.719 ' HG2' HG23 ' A' ' 329' ' ' THR . 36.7 mt-30 -78.35 123.3 26.83 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.282 -0.887 . . . . 0.0 109.91 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.29 125.72 69.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.32 -0.862 . . . . 0.0 108.899 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -86.4 99.71 11.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.161 -0.962 . . . . 0.0 109.186 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.15 -131.32 2.06 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -179.2 -50.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.42 -1.047 . . . . 0.0 108.926 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.5 -43.59 66.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.376 -0.828 . . . . 0.0 108.83 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.749 ' HD2' HD13 ' A' ' 348' ' ' LEU . 18.0 mtm180 -67.86 -39.02 83.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.281 -0.887 . . . . 0.0 108.695 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.575 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 83.6 t80 -65.38 -32.48 74.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 108.795 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.21 -41.28 77.29 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 mtm -59.79 -51.69 68.68 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.41 -0.806 . . . . 0.0 108.906 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' D' ' 344' ' ' LEU . 4.6 m-85 -62.94 -29.15 70.58 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.422 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -68.55 -29.85 68.51 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.01 -50.43 12.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.45 -0.781 . . . . 0.0 109.344 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.652 HD11 ' CE1' ' D' ' 341' ' ' PHE . 1.1 mm? -56.34 -36.63 68.98 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.134 -0.979 . . . . 0.0 108.499 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.496 ' ND2' ' CE2' ' A' ' 341' ' ' PHE . 3.7 m-20 -78.36 -23.63 46.8 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.429 -0.794 . . . . 0.0 109.262 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -70.82 -37.81 73.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.292 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.582 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -72.12 -44.02 63.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.832 . . . . 0.0 109.202 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.778 HD13 ' HD2' ' A' ' 337' ' ' ARG . 29.1 mt -58.34 -49.57 76.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.128 -0.983 . . . . 0.0 108.829 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.43 -31.87 68.15 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.976 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.8 -33.19 74.33 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.344 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.558 ' CA ' HD21 ' C' ' 350' ' ' LEU . 10.7 ttmt -56.7 -37.87 71.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.429 -0.795 . . . . 0.0 108.949 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -79.12 -24.04 43.66 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.41 -0.806 . . . . 0.0 109.203 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.899 . . . . 0.0 109.511 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.14 109.32 18.96 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -0.883 . . . . 0.0 109.333 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -105.64 142.86 34.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.532 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.996 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -99.67 134.45 42.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 0.0 109.697 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.55 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -114.78 86.27 2.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.305 -0.872 . . . . 0.0 108.907 179.569 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.699 ' HG2' HG23 ' D' ' 329' ' ' THR . 35.7 mt-30 -80.55 122.97 27.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.385 -0.822 . . . . 0.0 109.776 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.41 HD11 HD21 ' D' ' 345' ' ' ASN . 4.6 mt -125.48 125.31 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.417 -0.802 . . . . 0.0 109.275 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -85.63 100.04 11.69 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.163 -0.961 . . . . 0.0 109.425 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.49 -131.95 2.26 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -178.39 -50.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.372 -1.075 . . . . 0.0 108.968 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.43 -44.2 65.32 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.243 -0.911 . . . . 0.0 108.747 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.742 ' HD2' HD13 ' D' ' 348' ' ' LEU . 17.1 mtm180 -67.43 -38.67 84.93 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.541 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 83.4 t80 -65.55 -33.09 75.11 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.319 -0.863 . . . . 0.0 108.829 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.47 -40.89 80.83 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.276 -0.89 . . . . 0.0 108.673 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.4 mtm -59.95 -51.51 69.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.806 . . . . 0.0 108.868 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 344' ' ' LEU . 4.6 m-85 -63.03 -28.96 70.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.46 -0.775 . . . . 0.0 109.079 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.419 ' HG3' ' CE2' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -68.82 -29.08 67.34 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.3 -0.875 . . . . 0.0 108.765 179.434 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.73 -50.51 11.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.438 -0.789 . . . . 0.0 109.206 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.67 HD11 ' CE1' ' A' ' 341' ' ' PHE . 1.0 OUTLIER -56.52 -36.71 69.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.18 -0.95 . . . . 0.0 108.582 179.562 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.553 ' ND2' ' CE2' ' D' ' 341' ' ' PHE . 3.4 m-20 -78.33 -23.22 47.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.501 -0.75 . . . . 0.0 109.242 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -72.08 -37.25 69.63 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.265 -0.897 . . . . 0.0 109.237 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.641 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -72.76 -41.05 65.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.259 -0.901 . . . . 0.0 109.156 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.703 HD13 ' HD2' ' D' ' 337' ' ' ARG . 28.5 mt -61.4 -48.79 79.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.982 . . . . 0.0 108.83 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.65 -31.5 68.21 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.976 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -68.37 -32.41 72.48 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.567 ' CA ' HD21 ' B' ' 350' ' ' LEU . 10.7 ttmt -57.33 -37.24 72.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.435 -0.791 . . . . 0.0 108.968 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.53 -24.14 42.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.367 -0.833 . . . . 0.0 109.173 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.297 -0.877 . . . . 0.0 109.528 179.825 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.29 109.28 18.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.319 -0.863 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.407 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 59.4 m-85 -105.53 142.66 34.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.503 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.996 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -99.62 134.62 42.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.384 -0.823 . . . . 0.0 109.64 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.541 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.8 OUTLIER -114.86 86.1 2.38 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.259 -0.9 . . . . 0.0 108.949 179.57 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.722 ' HG2' HG23 ' C' ' 329' ' ' THR . 35.8 mt-30 -80.32 122.81 27.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 0.0 109.731 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.419 HD11 HD21 ' C' ' 345' ' ' ASN . 4.5 mt -125.02 125.15 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.305 -0.872 . . . . 0.0 109.344 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -85.4 100.25 11.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.094 -1.004 . . . . 0.0 109.535 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.11 -132.2 2.35 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -177.93 -50.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.311 -1.111 . . . . 0.0 108.972 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.29 -44.35 65.38 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.329 -0.857 . . . . 0.0 108.789 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.703 ' HD2' HD13 ' C' ' 348' ' ' LEU . 16.9 mtm180 -67.08 -38.82 86.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.303 -0.873 . . . . 0.0 108.694 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.55 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 83.0 t80 -65.44 -33.33 75.7 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.25 -40.82 81.85 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.3 mtm -60.23 -51.01 71.38 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.368 -0.833 . . . . 0.0 108.93 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' B' ' 344' ' ' LEU . 4.5 m-85 -63.55 -28.5 69.98 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.457 -0.777 . . . . 0.0 109.012 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.408 ' HG3' ' CE2' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -69.09 -29.28 67.34 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.364 -0.835 . . . . 0.0 108.761 179.434 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.47 -50.74 11.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.442 -0.786 . . . . 0.0 109.147 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.652 HD11 ' CE1' ' B' ' 341' ' ' PHE . 0.8 OUTLIER -56.3 -36.88 69.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 108.638 179.569 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.544 ' ND2' ' CE2' ' C' ' 341' ' ' PHE . 3.5 m-20 -78.26 -23.35 47.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.446 -0.784 . . . . 0.0 109.221 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -71.25 -37.75 71.94 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.912 . . . . 0.0 109.23 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.656 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.71 -43.97 64.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.284 -0.885 . . . . 0.0 109.103 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.742 HD13 ' HD2' ' C' ' 337' ' ' ARG . 29.7 mt -58.73 -49.53 77.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 108.865 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.44 -31.78 68.07 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.239 -0.913 . . . . 0.0 108.554 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.985 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -67.88 -33.07 74.02 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.59 ' CA ' HD21 ' A' ' 350' ' ' LEU . 10.6 ttmt -56.84 -37.81 71.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.312 -0.867 . . . . 0.0 108.949 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -79.12 -24.08 43.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 109.196 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.247 -0.908 . . . . 0.0 109.533 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -100.56 121.79 42.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.352 -0.842 . . . . 0.0 109.539 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 81.0 m-85 -115.72 161.17 19.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 0.0 109.397 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.148 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -120.82 135.25 55.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.325 -0.86 . . . . 0.0 109.484 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.813 HD21 ' ND2' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -115.84 93.6 4.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.488 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.748 ' HG3' HG23 ' B' ' 329' ' ' THR . 1.0 OUTLIER -89.79 116.52 27.95 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.236 -0.915 . . . . 0.0 109.126 -179.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.536 HD11 HD22 ' A' ' 330' ' ' LEU . 5.9 mt -120.07 142.22 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.485 -0.759 . . . . 0.0 109.565 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -92.14 131.39 37.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.495 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.64 -133.38 6.91 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -173.03 -64.67 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.223 -1.163 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.95 -51.67 55.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.317 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.76 ' HG2' HD13 ' B' ' 348' ' ' LEU . 1.4 mtm180 -57.21 -46.6 82.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.089 -1.007 . . . . 0.0 109.036 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 62.1 t80 -55.65 -29.17 58.81 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.234 -0.916 . . . . 0.0 109.249 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -72.19 -40.02 68.21 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.016 -1.053 . . . . 0.0 109.094 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.456 ' O ' HD23 ' A' ' 344' ' ' LEU . 9.2 mtm -62.59 -42.58 99.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.0 109.683 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.8 ' CE1' HD11 ' C' ' 344' ' ' LEU . 6.3 m-85 -70.42 -34.52 72.6 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.655 0.74 . . . . 0.0 109.499 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 44.2 ttt180 -60.25 -41.69 93.75 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -39.19 61.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.872 . . . . 0.0 109.76 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 1.012 HD12 HD12 ' D' ' 344' ' ' LEU . 0.5 OUTLIER -56.13 -57.52 11.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.153 -0.967 . . . . 0.0 109.159 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.821 ' ND2' HD21 ' B' ' 330' ' ' LEU . 4.6 p30 -66.88 -22.38 65.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 109.979 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 9.1 tt0 -64.88 -41.7 95.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.069 -1.019 . . . . 0.0 109.515 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.885 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -72.75 -48.51 37.83 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.298 -0.876 . . . . 0.0 109.872 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.961 HD23 ' HB2' ' D' ' 347' ' ' ALA . 60.7 mt -51.26 -50.91 58.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.094 -1.004 . . . . 0.0 108.776 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.93 -31.36 70.89 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.215 -0.928 . . . . 0.0 108.555 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 1.02 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.08 -30.07 70.99 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 120.97 -1.081 . . . . 0.0 108.262 179.285 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.479 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 17.6 tttt -62.18 -46.42 89.02 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.06 -31.21 68.66 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.932 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.236 -0.915 . . . . 0.0 109.883 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -101.11 122.11 43.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.243 -0.91 . . . . 0.0 109.428 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.544 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 80.5 m-85 -117.05 159.57 22.34 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.21 -0.932 . . . . 0.0 109.68 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.148 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.52 143.88 45.63 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.0 109.184 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.821 HD21 ' ND2' ' A' ' 345' ' ' ASN . 0.2 OUTLIER -124.35 82.14 2.01 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.626 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.574 ' HG3' HG23 ' A' ' 329' ' ' THR . 0.9 OUTLIER -79.36 118.51 21.33 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.425 -0.797 . . . . 0.0 110.123 -179.089 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.56 HD11 HD22 ' B' ' 330' ' ' LEU . 6.1 mt -121.82 141.1 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.437 -0.789 . . . . 0.0 109.158 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -91.39 131.51 36.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.219 -0.926 . . . . 0.0 109.431 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.85 -133.56 6.97 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -173.17 -64.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.201 -1.176 . . . . 0.0 109.423 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -51.64 -51.14 58.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.92 . . . . 0.0 109.365 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.728 ' HG2' HD13 ' A' ' 348' ' ' LEU . 1.4 mtm180 -57.51 -48.09 80.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 61.6 t80 -54.44 -28.8 46.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.173 -0.954 . . . . 0.0 109.285 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -72.48 -41.2 66.27 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.228 -0.92 . . . . 0.0 109.092 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.45 ' O ' HD23 ' B' ' 344' ' ' LEU . 11.4 mtm -62.94 -42.72 99.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.327 -0.858 . . . . 0.0 109.104 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.771 ' CE1' HD11 ' D' ' 344' ' ' LEU . 5.2 m-85 -70.33 -31.46 68.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.392 -0.818 . . . . 0.0 109.214 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 46.3 ttt180 -63.43 -40.45 97.2 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.248 -0.908 . . . . 0.0 109.173 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -38.27 58.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.377 -0.827 . . . . 0.0 109.666 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.983 HD12 HD12 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -57.56 -54.97 40.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.139 -0.976 . . . . 0.0 109.135 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.813 ' ND2' HD21 ' A' ' 330' ' ' LEU . 4.1 p30 -68.99 -22.65 64.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 109.81 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 8.9 tt0 -64.99 -42.65 94.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.109 -0.994 . . . . 0.0 109.499 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.899 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -70.99 -50.11 37.87 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.324 -0.86 . . . . 0.0 109.622 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.998 HD23 ' HB2' ' C' ' 347' ' ' ALA . 67.0 mt -50.17 -51.71 41.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.103 -0.998 . . . . 0.0 109.198 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.61 -33.27 72.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.284 -0.885 . . . . 0.0 108.618 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -62.44 -31.66 72.4 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.488 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 17.9 tttt -60.92 -46.09 92.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.477 -0.764 . . . . 0.0 108.968 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -27.91 67.5 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.412 -0.805 . . . . 0.0 109.099 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.304 -0.873 . . . . 0.0 109.401 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -101.45 121.93 42.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 0.0 109.38 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 79.8 m-85 -115.93 160.8 19.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.199 -0.938 . . . . 0.0 109.511 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 1.072 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -120.09 138.09 53.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.247 -0.908 . . . . 0.0 109.465 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.825 HD21 ' ND2' ' D' ' 345' ' ' ASN . 0.2 OUTLIER -118.61 84.87 2.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.345 -0.847 . . . . 0.0 108.939 179.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.679 ' HG3' HG23 ' D' ' 329' ' ' THR . 0.9 OUTLIER -81.64 118.4 22.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.267 -0.895 . . . . 0.0 109.973 -179.441 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.562 HD11 HD22 ' C' ' 330' ' ' LEU . 6.1 mt -121.8 141.92 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.363 -0.836 . . . . 0.0 109.137 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -92.01 131.0 37.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.226 -0.921 . . . . 0.0 109.662 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.86 -133.81 7.11 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.69 -64.55 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -1.189 . . . . 0.0 109.388 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.54 -51.0 58.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.759 ' HG2' HD13 ' D' ' 348' ' ' LEU . 1.5 mtm180 -57.9 -47.36 83.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.244 -0.91 . . . . 0.0 109.175 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 62.3 t80 -55.04 -29.29 57.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.278 -0.889 . . . . 0.0 109.327 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -71.72 -41.45 68.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.197 -0.939 . . . . 0.0 109.181 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.406 ' O ' HD23 ' C' ' 344' ' ' LEU . 11.2 mtm -62.72 -42.3 99.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 0.0 109.156 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.761 ' CE1' HD11 ' A' ' 344' ' ' LEU . 5.2 m-85 -70.58 -31.91 69.09 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.366 -0.834 . . . . 0.0 109.21 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 46.1 ttt180 -62.75 -40.61 97.79 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.302 -0.874 . . . . 0.0 109.156 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.83 -38.07 58.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.357 -0.839 . . . . 0.0 109.768 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.983 HD12 HD12 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -57.57 -54.63 44.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.181 -0.949 . . . . 0.0 109.154 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.844 ' ND2' HD21 ' D' ' 330' ' ' LEU . 5.0 p30 -69.58 -22.42 63.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.879 . . . . 0.0 109.853 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 9.0 tt0 -65.04 -42.11 94.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.933 -1.104 . . . . 0.0 109.357 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.998 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -71.5 -49.61 39.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.297 -0.877 . . . . 0.0 109.567 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.889 HD23 ' HB2' ' B' ' 347' ' ' ALA . 66.5 mt -50.8 -51.33 51.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.112 -0.992 . . . . 0.0 109.152 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.75 -33.11 72.43 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -62.84 -31.07 72.01 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.301 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.472 ' N ' ' HG ' ' C' ' 350' ' ' LEU . 17.9 tttt -61.09 -46.31 91.15 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -27.98 67.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.12 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.455 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.268 0.556 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -101.39 122.08 43.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -0.924 . . . . 0.0 109.377 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 79.4 m-85 -116.09 160.83 19.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 0.0 109.499 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 1.072 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -120.14 138.1 53.78 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.224 -0.923 . . . . 0.0 109.556 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.844 HD21 ' ND2' ' C' ' 345' ' ' ASN . 0.2 OUTLIER -118.59 84.68 2.22 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.334 -0.854 . . . . 0.0 108.982 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.704 ' HG3' HG23 ' C' ' 329' ' ' THR . 0.9 OUTLIER -81.45 118.37 22.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.316 -0.865 . . . . 0.0 109.965 -179.427 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.555 HD11 HD22 ' D' ' 330' ' ' LEU . 6.0 mt -121.63 141.74 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.318 -0.864 . . . . 0.0 109.342 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -91.8 131.68 36.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.956 . . . . 0.0 109.675 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.33 -133.85 7.2 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.61 -64.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -1.132 . . . . 0.0 109.418 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -51.66 -51.12 58.37 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.24 -0.912 . . . . 0.0 109.279 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.725 ' HG2' HD13 ' C' ' 348' ' ' LEU . 1.5 mtm180 -57.56 -47.54 81.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.186 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 62.3 t80 -54.8 -29.34 54.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.336 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -71.79 -41.41 68.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.0 109.165 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.3 mtm -62.64 -42.59 99.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -0.884 . . . . 0.0 109.14 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.77 ' CE1' HD11 ' B' ' 344' ' ' LEU . 5.1 m-85 -70.33 -31.52 68.86 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.397 -0.814 . . . . 0.0 109.194 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 45.8 ttt180 -63.28 -40.37 97.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.348 -0.845 . . . . 0.0 109.193 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -38.18 58.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.457 -0.777 . . . . 0.0 109.767 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -57.52 -55.11 39.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 0.0 109.13 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.825 ' ND2' HD21 ' C' ' 330' ' ' LEU . 4.9 p30 -69.07 -22.26 64.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.264 -0.897 . . . . 0.0 109.992 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 8.9 tt0 -65.15 -41.85 94.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.025 -1.047 . . . . 0.0 109.359 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.961 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.54 -50.48 30.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.275 -0.891 . . . . 0.0 109.548 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.866 HD23 ' HB2' ' A' ' 347' ' ' ALA . 67.4 mt -49.88 -51.66 38.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 109.062 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -60.7 -33.38 72.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.342 -0.849 . . . . 0.0 108.725 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 1.02 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -62.41 -31.29 71.95 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.266 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.484 ' N ' ' HG ' ' D' ' 350' ' ' LEU . 17.9 tttt -61.14 -45.95 92.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.578 -0.701 . . . . 0.0 109.111 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -27.25 67.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.398 -0.814 . . . . 0.0 109.133 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.289 -0.882 . . . . 0.0 109.545 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.567 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 2.0 m-85 -100.82 122.39 43.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.929 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 62.2 m-85 -116.16 165.8 12.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.161 -0.962 . . . . 0.0 109.533 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.03 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -134.89 136.15 42.15 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.22 -0.925 . . . . 0.0 109.953 -179.222 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.764 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -114.1 95.31 5.23 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 12.8 tt0 -88.64 110.1 20.66 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.263 -0.898 . . . . 0.0 108.959 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.51 124.06 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.501 -0.749 . . . . 0.0 109.893 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.521 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 4.6 tmm_? -86.23 100.77 12.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 108.625 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.04 -131.05 2.1 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -175.8 -51.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -1.076 . . . . 0.0 109.005 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.25 -45.94 58.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.172 -0.955 . . . . 0.0 108.89 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.636 ' HD3' HD22 ' B' ' 348' ' ' LEU . 43.1 mtm-85 -61.86 -43.19 99.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.264 -0.898 . . . . 0.0 108.747 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.73 ' CE1' HD12 ' B' ' 330' ' ' LEU . 66.0 t80 -59.49 -37.74 79.02 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.274 -0.891 . . . . 0.0 108.776 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 342' ' ' ARG . 0.9 OUTLIER -61.78 -44.65 96.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.248 -0.907 . . . . 0.0 108.826 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.453 ' SD ' ' OE2' ' C' ' 343' ' ' GLU . 10.8 mtp -51.98 -53.02 46.41 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.927 0.87 . . . . 0.0 109.588 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CE1' HD11 ' C' ' 344' ' ' LEU . 5.2 m-85 -62.31 -29.79 70.69 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.931 0.872 . . . . 0.0 109.199 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 339' ' ' GLU . 9.8 mtp180 -62.94 -38.55 91.51 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.463 ' HG2' ' HE1' ' C' ' 340' ' ' MET . 1.1 tt0 -69.32 -48.21 62.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.184 -0.948 . . . . 0.0 109.17 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' C' ' 341' ' ' PHE . 1.2 mm? -60.72 -29.13 69.16 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.538 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.4 t-20 -80.59 -24.2 39.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.12 -42.16 66.37 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.613 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -67.46 -47.68 69.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 109.237 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' D' ' 347' ' ' ALA . 26.3 mt -58.38 -43.92 88.67 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 345' ' ' ASN . 1.8 tt0 -64.0 -26.58 68.63 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 1.046 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -72.37 -25.82 61.66 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.088 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 27.9 tttt -66.89 -43.18 84.12 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -72.67 -22.26 60.95 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.266 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 109.91 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.521 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 2.0 m-85 -100.57 122.63 43.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 109.561 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 61.3 m-85 -117.56 163.68 16.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.199 -0.938 . . . . 0.0 109.558 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.03 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -131.86 144.26 50.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 109.651 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.73 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -121.3 86.13 2.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 8.5 tt0 -79.21 111.74 15.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.912 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -111.96 123.74 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.517 -0.739 . . . . 0.0 109.389 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 4.5 tmm_? -86.59 98.88 11.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.372 -0.83 . . . . 0.0 109.071 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.31 -130.75 1.98 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -175.02 -51.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.288 -1.125 . . . . 0.0 109.115 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.05 -44.44 63.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.17 -0.956 . . . . 0.0 108.956 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.581 ' HD3' HD22 ' A' ' 348' ' ' LEU . 40.8 mtm-85 -63.13 -44.38 95.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.223 -0.923 . . . . 0.0 108.966 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.764 ' CE1' HD12 ' A' ' 330' ' ' LEU . 65.9 t80 -58.28 -38.55 77.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.233 -0.917 . . . . 0.0 108.767 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' B' ' 342' ' ' ARG . 0.9 OUTLIER -61.17 -46.31 91.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 108.616 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.475 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 12.0 mtp -51.28 -54.25 27.75 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.498 -0.751 . . . . 0.0 108.979 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' D' ' 344' ' ' LEU . 3.9 m-85 -62.1 -26.13 68.11 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' B' ' 339' ' ' GLU . 9.7 mtp180 -66.12 -38.12 87.4 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.444 -0.785 . . . . 0.0 109.031 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.475 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 1.1 tt0 -69.11 -47.86 64.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.827 . . . . 0.0 108.941 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.542 HD12 HD12 ' C' ' 344' ' ' LEU . 1.1 mm? -61.66 -26.48 68.04 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.575 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.4 t-20 -83.8 -22.34 31.85 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.92 -41.53 61.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.466 -0.771 . . . . 0.0 109.017 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.658 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -66.81 -49.18 66.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.413 -0.804 . . . . 0.0 108.913 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.636 HD22 ' HD3' ' A' ' 337' ' ' ARG . 26.0 mt -58.04 -44.08 87.18 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' B' ' 345' ' ' ASN . 1.8 tt0 -63.84 -27.14 68.96 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 1.032 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -71.23 -27.28 63.36 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.193 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -65.94 -42.31 90.22 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -73.43 -21.83 60.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.372 -0.83 . . . . 0.0 109.166 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.606 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.602 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 1.9 m-85 -100.51 122.44 43.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.143 -0.973 . . . . 0.0 109.485 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 60.1 m-85 -116.09 166.37 12.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.971 . . . . 0.0 109.544 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 1.024 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -135.25 139.25 44.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.227 -0.921 . . . . 0.0 109.954 -179.541 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.786 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -117.08 88.01 2.82 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -80.9 111.84 17.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.762 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.12 124.11 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.311 -0.868 . . . . 0.0 109.563 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.592 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 4.4 tmm_? -86.36 99.28 11.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.271 -0.893 . . . . 0.0 109.273 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.77 -131.46 2.17 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -174.42 -51.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -1.096 . . . . 0.0 109.057 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.49 -45.15 63.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.144 -0.972 . . . . 0.0 108.896 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.629 ' HD3' HD22 ' D' ' 348' ' ' LEU . 40.8 mtm-85 -62.57 -43.79 97.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.261 -0.9 . . . . 0.0 108.878 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' D' ' 330' ' ' LEU . 66.0 t80 -58.71 -38.94 79.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.304 -0.872 . . . . 0.0 108.845 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' C' ' 342' ' ' ARG . 0.9 OUTLIER -60.63 -46.17 91.29 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.296 -0.877 . . . . 0.0 108.688 179.39 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.463 ' HE1' ' HG2' ' A' ' 343' ' ' GLU . 13.0 mtp -51.45 -53.74 33.98 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.348 -0.845 . . . . 0.0 108.969 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 344' ' ' LEU . 4.0 m-85 -62.53 -25.91 68.28 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.422 -0.799 . . . . 0.0 109.008 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' C' ' 339' ' ' GLU . 10.2 mtp180 -66.34 -37.61 85.74 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.382 -0.823 . . . . 0.0 109.049 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.453 ' OE2' ' SD ' ' A' ' 340' ' ' MET . 1.1 tt0 -69.39 -47.75 63.28 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.876 . . . . 0.0 108.918 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 341' ' ' PHE . 1.2 mm? -61.87 -26.55 68.22 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.592 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.5 t-20 -84.09 -21.84 31.35 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.55 -41.45 60.55 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.636 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -67.22 -46.65 73.2 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.425 -0.797 . . . . 0.0 109.143 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.6 HD22 ' HD3' ' D' ' 337' ' ' ARG . 25.2 mt -60.56 -43.33 97.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.131 -0.981 . . . . 0.0 108.442 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' C' ' 345' ' ' ASN . 1.8 tt0 -64.12 -26.88 68.73 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 1.032 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.4 -26.86 62.94 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.303 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -66.22 -42.38 88.78 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -73.65 -21.1 60.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.427 -0.796 . . . . 0.0 109.144 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 O-C-N 121.312 -0.867 . . . . 0.0 109.461 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.592 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 2.0 m-85 -100.91 122.41 43.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 0.0 109.473 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -116.07 165.98 12.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 0.0 109.498 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 1.024 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -134.85 139.49 45.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.169 -0.957 . . . . 0.0 109.942 -179.647 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.791 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -116.94 88.16 2.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.351 -0.843 . . . . 0.0 108.754 179.448 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 9.1 tt0 -81.08 112.07 18.11 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.26 -0.9 . . . . 0.0 109.725 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.18 123.83 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.334 -0.854 . . . . 0.0 109.48 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.602 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 4.4 tmm_? -86.47 99.48 11.69 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.3 -0.875 . . . . 0.0 109.339 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.46 -131.29 2.15 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -174.25 -52.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -1.127 . . . . 0.0 109.033 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.36 -44.84 64.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.186 -0.946 . . . . 0.0 108.888 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.6 ' HD3' HD22 ' C' ' 348' ' ' LEU . 40.5 mtm-85 -62.92 -43.89 97.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.225 -0.922 . . . . 0.0 108.82 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.786 ' CE1' HD12 ' C' ' 330' ' ' LEU . 66.0 t80 -58.57 -39.0 79.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.232 -0.918 . . . . 0.0 108.785 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' D' ' 342' ' ' ARG . 0.9 OUTLIER -60.71 -46.08 91.75 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.475 ' HE1' ' HG2' ' B' ' 343' ' ' GLU . 13.3 mtp -51.48 -53.95 32.11 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.375 -0.828 . . . . 0.0 108.995 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' B' ' 344' ' ' LEU . 3.9 m-85 -62.24 -25.88 68.06 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' D' ' 339' ' ' GLU . 10.2 mtp180 -66.31 -38.11 86.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.487 -0.758 . . . . 0.0 109.091 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.475 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 1.1 tt0 -69.12 -47.84 64.06 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.323 -0.86 . . . . 0.0 108.974 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' B' ' 341' ' ' PHE . 1.1 mm? -61.73 -26.6 68.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.589 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.5 t-20 -83.86 -21.88 31.86 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.09 -41.46 61.64 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.641 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -66.49 -49.43 66.6 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.362 -0.836 . . . . 0.0 109.037 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.629 HD22 ' HD3' ' C' ' 337' ' ' ARG . 25.7 mt -58.09 -43.85 87.28 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' D' ' 345' ' ' ASN . 1.8 tt0 -64.12 -26.89 68.74 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 1.046 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -71.24 -27.31 63.37 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.181 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -66.2 -42.33 88.95 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -73.5 -21.65 60.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.405 -0.809 . . . . 0.0 109.048 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 109.422 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . 0.467 ' HB3' ' CE2' ' A' ' 328' ' ' PHE . 2.7 tt0 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -105.58 120.29 41.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.92 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 91.6 m-85 -115.81 142.13 47.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.558 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.138 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -104.7 126.25 51.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.378 -0.826 . . . . 0.0 109.303 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.588 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -107.44 93.91 4.8 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.683 ' HG2' HG23 ' B' ' 329' ' ' THR . 66.2 mt-30 -88.64 109.07 19.81 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.09 -1.006 . . . . 0.0 108.68 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -112.55 140.19 33.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.415 -0.803 . . . . 0.0 109.575 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -94.15 138.63 31.97 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.31 -0.869 . . . . 0.0 109.206 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 134.08 -126.78 4.33 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 35.4 ttm180 177.48 -46.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.356 -1.085 . . . . 0.0 108.805 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.62 -55.41 6.32 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.388 -0.82 . . . . 0.0 108.972 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.725 ' HG2' HD13 ' B' ' 348' ' ' LEU . 1.5 ttm180 -53.59 -47.4 70.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.873 . . . . 0.0 109.108 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.564 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 85.3 t80 -57.0 -32.95 66.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 109.251 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -40.8 76.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 0.0 109.344 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.567 ' O ' HD22 ' A' ' 344' ' ' LEU . 14.2 mtm -53.83 -54.77 33.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.888 . . . . 0.0 109.56 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.581 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 15.3 m-85 -60.66 -38.97 86.64 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.848 0.832 . . . . 0.0 109.302 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 2.2 ttp180 -50.09 -38.33 38.07 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.26 -56.8 4.46 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.471 -0.768 . . . . 0.0 109.947 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.81 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.4 mm? -44.97 -59.43 2.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.106 -0.996 . . . . 0.0 109.898 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.937 ' HA ' HD12 ' A' ' 348' ' ' LEU . 1.9 p30 -62.47 -27.27 69.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 110.15 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 1.2 tp10 -62.76 -44.78 95.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.032 -1.042 . . . . 0.0 109.77 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -72.38 -39.67 67.86 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.146 -0.972 . . . . 0.0 109.78 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 345' ' ' ASN . 20.2 mt -54.75 -51.48 65.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 0.0 108.628 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -61.93 -29.67 70.38 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.931 ' O ' HD12 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -68.04 -27.75 66.79 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 120.897 -1.127 . . . . 0.0 107.998 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.698 ' CA ' HD21 ' D' ' 350' ' ' LEU . 2.2 ttpt -64.8 -45.43 86.27 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -58.23 -35.73 72.13 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 119.626 -0.83 . . . . 0.0 108.77 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 109.397 179.772 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.458 ' HB3' ' CE2' ' B' ' 328' ' ' PHE . 2.8 tt0 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -105.72 120.81 42.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.289 -0.882 . . . . 0.0 109.221 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 338' ' ' PHE . 90.4 m-85 -116.64 141.96 47.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -0.923 . . . . 0.0 109.807 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.138 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -103.17 133.65 47.91 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.0 108.988 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.564 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 1.0 OUTLIER -114.79 82.35 1.71 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.283 -0.885 . . . . 0.0 108.734 179.738 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.619 ' CG ' HG23 ' A' ' 329' ' ' THR . 68.6 mt-30 -78.65 108.28 11.95 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.287 -0.883 . . . . 0.0 109.794 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -111.84 140.36 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.326 -0.859 . . . . 0.0 109.172 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -94.42 138.22 32.63 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.298 -0.876 . . . . 0.0 109.295 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 133.93 -126.26 4.19 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 35.8 ttm180 177.65 -46.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.394 -1.062 . . . . 0.0 109.023 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.38 -54.83 7.37 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.326 -0.859 . . . . 0.0 109.076 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.707 ' HG2' HD13 ' A' ' 348' ' ' LEU . 1.9 ttm180 -53.93 -48.59 70.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.869 . . . . 0.0 109.22 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.588 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 84.3 t80 -55.87 -32.32 63.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.237 -0.915 . . . . 0.0 109.443 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -42.12 71.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.242 -0.911 . . . . 0.0 109.133 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.548 ' O ' HD22 ' B' ' 344' ' ' LEU . 19.5 mtm -53.81 -56.26 19.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 108.842 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.581 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 19.3 m-85 -58.73 -39.05 79.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.34 -0.85 . . . . 0.0 108.963 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.3 ttp180 -50.43 -36.9 35.27 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.509 -0.744 . . . . 0.0 109.448 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' B' ' 344' ' ' LEU . 5.2 tp10 -75.53 -56.41 4.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.42 -0.8 . . . . 0.0 109.96 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.825 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.4 mm? -45.47 -59.2 2.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.196 -0.94 . . . . 0.0 109.651 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.932 ' HA ' HD12 ' B' ' 348' ' ' LEU . 1.6 p30 -61.79 -27.55 68.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.955 . . . . 0.0 109.938 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 1.2 tp10 -63.69 -43.58 96.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.108 -0.995 . . . . 0.0 109.923 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.44 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -73.7 -38.8 64.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.043 -1.036 . . . . 0.0 109.508 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.932 HD12 ' HA ' ' B' ' 345' ' ' ASN . 20.5 mt -55.41 -52.26 64.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.222 -0.924 . . . . 0.0 108.781 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -60.69 -33.94 73.62 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.934 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -62.39 -31.24 71.88 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 179.369 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.731 ' CA ' HD21 ' C' ' 350' ' ' LEU . 2.2 ttpt -62.74 -46.0 90.08 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.393 -0.817 . . . . 0.0 108.93 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -57.84 -34.25 69.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.414 -0.804 . . . . 0.0 108.979 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.414 0 O-C-N 121.352 -0.843 . . . . 0.0 109.45 179.854 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' C' ' 328' ' ' PHE . 2.8 tt0 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -105.97 120.43 41.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.32 -0.862 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.603 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 89.4 m-85 -115.66 142.48 46.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 0.0 109.589 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.968 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -104.75 128.78 52.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 109.363 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 1.0 OUTLIER -109.98 85.57 2.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 0.0 109.262 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.621 ' CG ' HG23 ' D' ' 329' ' ' THR . 68.5 mt-30 -81.47 108.02 14.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.232 -0.917 . . . . 0.0 109.697 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.73 140.97 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.389 -0.82 . . . . 0.0 109.253 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 20.3 ttp180 -94.9 138.34 32.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.157 -0.964 . . . . 0.0 109.523 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 133.45 -126.85 4.47 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 35.6 ttm180 178.66 -45.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -1.143 . . . . 0.0 109.035 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.38 -55.1 6.83 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.359 -0.838 . . . . 0.0 109.066 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.715 ' HG2' HD13 ' D' ' 348' ' ' LEU . 1.8 ttm180 -53.88 -47.72 70.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.256 -0.902 . . . . 0.0 109.209 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.603 ' CZ ' ' HB3' ' D' ' 328' ' ' PHE . 85.2 t80 -56.7 -32.86 65.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 109.41 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -41.97 74.52 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.961 . . . . 0.0 109.218 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.549 ' O ' HD22 ' C' ' 344' ' ' LEU . 20.6 mtm -53.82 -55.67 24.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.215 -0.928 . . . . 0.0 108.95 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 19.7 m-85 -59.15 -39.24 81.81 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.312 -0.867 . . . . 0.0 108.871 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.0 ttp180 -49.97 -36.54 28.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.435 -0.791 . . . . 0.0 109.476 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.14 -56.35 4.73 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.319 -0.863 . . . . 0.0 109.937 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.825 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.4 mm? -45.36 -59.21 2.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.179 -0.951 . . . . 0.0 109.808 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.935 ' HA ' HD12 ' C' ' 348' ' ' LEU . 1.9 p30 -62.39 -27.36 69.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.098 -1.001 . . . . 0.0 110.051 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 1.2 tp10 -63.97 -43.27 96.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.088 -1.007 . . . . 0.0 109.888 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.492 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -74.04 -36.97 64.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.244 -0.91 . . . . 0.0 109.39 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.935 HD12 ' HA ' ' C' ' 345' ' ' ASN . 20.5 mt -57.2 -51.89 67.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.099 -1.0 . . . . 0.0 108.886 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -60.57 -33.63 72.99 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.286 -0.884 . . . . 0.0 108.687 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.934 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -63.02 -30.62 71.75 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.429 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.766 ' CA ' HD21 ' B' ' 350' ' ' LEU . 2.3 ttpt -63.27 -45.86 89.53 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.93 -34.24 69.66 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.376 -0.827 . . . . 0.0 109.021 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.875 . . . . 0.0 109.428 179.762 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . 0.453 ' HB3' ' CE2' ' D' ' 328' ' ' PHE . 2.8 tt0 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 6.0 m-85 -105.53 120.49 41.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.306 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.603 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 89.9 m-85 -115.78 142.44 46.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.122 -0.986 . . . . 0.0 109.587 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.968 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -104.68 129.04 52.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 109.336 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.586 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 1.0 OUTLIER -110.32 85.42 2.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 0.0 109.185 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.622 ' CG ' HG23 ' C' ' 329' ' ' THR . 68.5 mt-30 -81.15 107.99 14.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.18 -0.95 . . . . 0.0 109.699 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.6 141.06 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.258 -0.901 . . . . 0.0 109.285 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -94.9 138.51 32.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.924 . . . . 0.0 109.508 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 133.08 -126.89 4.55 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 35.6 ttm180 178.93 -45.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.329 -1.1 . . . . 0.0 108.98 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.4 -55.43 6.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.355 -0.84 . . . . 0.0 109.075 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.711 ' HG2' HD13 ' C' ' 348' ' ' LEU . 1.7 ttm180 -53.6 -47.55 70.07 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.37 -0.831 . . . . 0.0 109.2 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.603 ' CZ ' ' HB3' ' C' ' 328' ' ' PHE . 84.8 t80 -56.76 -33.09 66.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 0.0 109.327 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -42.16 75.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 0.0 109.116 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.489 ' O ' HD22 ' D' ' 344' ' ' LEU . 19.9 mtm -53.57 -56.05 20.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.0 109.032 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 19.3 m-85 -58.74 -39.07 79.84 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.319 -0.863 . . . . 0.0 108.926 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 ttp180 -50.21 -36.65 31.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.85 . . . . 0.0 109.507 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.84 -56.16 4.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.904 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.4 mm? -45.56 -59.02 2.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.175 -0.953 . . . . 0.0 109.892 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.941 ' HA ' HD12 ' D' ' 348' ' ' LEU . 2.0 p30 -62.78 -26.77 68.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.088 -1.008 . . . . 0.0 110.064 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.509 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 1.2 tp10 -63.98 -43.61 95.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.1 -1.0 . . . . 0.0 109.793 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.505 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -73.4 -39.0 65.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.124 -0.985 . . . . 0.0 109.419 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.941 HD12 ' HA ' ' D' ' 345' ' ' ASN . 19.7 mt -55.49 -52.02 65.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.196 -0.94 . . . . 0.0 108.863 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.69 -34.26 74.09 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.288 -0.882 . . . . 0.0 108.67 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.929 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -62.13 -31.11 71.54 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.767 ' CA ' HD21 ' A' ' 350' ' ' LEU . 2.3 ttpt -62.95 -46.54 87.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.446 -0.784 . . . . 0.0 108.906 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.28 -33.87 68.08 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.467 -0.77 . . . . 0.0 108.945 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 0.0 109.415 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.507 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 6.4 m-85 -102.47 108.91 20.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.219 -0.925 . . . . 0.0 109.365 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 54.7 m-85 -98.04 170.58 8.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.163 -0.961 . . . . 0.0 108.865 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.099 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -138.33 130.49 28.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.167 -0.958 . . . . 0.0 110.116 -179.231 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.824 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -110.94 97.34 6.75 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.241 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.533 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.4 mt-30 -86.75 112.2 21.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.155 -0.965 . . . . 0.0 108.834 -179.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -110.36 113.75 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.513 -0.742 . . . . 0.0 109.809 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.493 ' HG2' ' CZ ' ' B' ' 327' ' ' TYR . 37.6 mtm180 -77.19 97.88 4.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.188 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 171.48 -118.6 0.75 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 5.0 ttm180 173.14 -66.12 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.513 -0.992 . . . . 0.0 109.119 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.01 -51.22 70.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.292 -0.88 . . . . 0.0 109.052 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 340' ' ' MET . 8.4 mtm105 -56.12 -40.55 73.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 108.791 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.883 ' CE1' HD12 ' B' ' 330' ' ' LEU . 71.1 t80 -57.94 -40.98 81.8 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.318 -0.864 . . . . 0.0 108.894 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 342' ' ' ARG . 19.7 mt-10 -61.13 -39.77 91.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.137 -0.977 . . . . 0.0 108.674 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 3.1 mtp -53.48 -49.93 66.42 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.991 0.9 . . . . 0.0 109.285 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.632 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.2 m-85 -66.4 -29.41 69.57 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.705 0.764 . . . . 0.0 109.223 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -60.52 -38.15 83.47 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.446 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 49.1 tp10 -70.59 -49.13 51.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.901 . . . . 0.0 108.726 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.72 HD12 HD12 ' D' ' 344' ' ' LEU . 1.1 mm? -59.77 -23.9 63.64 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.54 ' ND2' HD23 ' B' ' 330' ' ' LEU . 1.0 OUTLIER -85.76 -26.25 25.92 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 350' ' ' LEU . 20.7 tp10 -70.5 -42.23 71.59 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.533 -0.729 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.963 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -74.82 -47.28 31.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.28 -0.887 . . . . 0.0 109.736 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.492 HD11 ' CD1' ' D' ' 344' ' ' LEU . 75.0 mt -54.83 -52.21 63.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.091 -1.006 . . . . 0.0 108.759 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.05 -26.32 68.19 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.129 -0.982 . . . . 0.0 108.538 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 1.038 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.81 -28.05 63.34 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 120.918 -1.114 . . . . 0.0 108.144 179.443 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.735 ' HG3' HD22 ' D' ' 350' ' ' LEU . 6.8 tttt -62.91 -43.61 98.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.47 -34.86 77.67 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.345 -0.847 . . . . 0.0 109.577 179.601 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.326 0.584 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.493 ' CZ ' ' HG2' ' A' ' 333' ' ' ARG . 6.2 m-85 -103.11 106.86 17.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.532 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 55.5 m-85 -97.42 166.36 11.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.0 109.17 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.099 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -133.19 137.46 46.18 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.328 -0.858 . . . . 0.0 109.94 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.883 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -117.86 88.61 2.95 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.518 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 3.2 mt-30 -77.95 112.93 15.36 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.185 -0.947 . . . . 0.0 109.858 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.86 114.02 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.347 -0.846 . . . . 0.0 109.289 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 38.0 mtm180 -77.49 97.93 5.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.0 109.171 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 171.02 -119.14 0.78 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.588 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 5.0 ttm180 174.1 -66.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.323 -1.104 . . . . 0.0 109.219 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.53 -50.85 72.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.137 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' B' ' 340' ' ' MET . 8.7 mtm105 -56.53 -41.55 76.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.006 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.824 ' CE1' HD12 ' A' ' 330' ' ' LEU . 72.1 t80 -56.78 -41.86 78.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.197 -0.94 . . . . 0.0 108.777 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 17.7 mt-10 -60.41 -41.06 93.12 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.496 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 3.5 mtp -53.24 -50.35 64.96 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.597 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.3 m-85 -66.48 -26.11 67.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.45 -0.781 . . . . 0.0 109.001 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -63.59 -37.45 87.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.352 -0.842 . . . . 0.0 108.953 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.468 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 49.0 tp10 -70.31 -49.07 53.31 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.271 -0.893 . . . . 0.0 108.797 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.723 HD12 HD12 ' C' ' 344' ' ' LEU . 1.2 mm? -60.34 -23.03 63.93 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.582 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.0 OUTLIER -86.62 -25.66 24.81 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' B' ' 350' ' ' LEU . 21.2 tp10 -71.88 -40.79 68.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.422 -0.799 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.958 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -75.97 -46.69 28.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.329 -0.857 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' C' ' 344' ' ' LEU . 79.1 mt -55.65 -52.02 65.26 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.127 -0.983 . . . . 0.0 108.961 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.94 -28.54 69.61 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 1.023 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -68.74 -29.66 68.11 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.41 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.724 ' HG3' HD22 ' C' ' 350' ' ' LEU . 6.8 tttt -62.26 -41.8 98.77 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.62 -32.26 73.85 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.446 -0.783 . . . . 0.0 109.16 179.721 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.544 ' CZ ' ' HG2' ' D' ' 333' ' ' ARG . 6.3 m-85 -103.31 106.94 17.57 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.237 -0.914 . . . . 0.0 109.51 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 54.9 m-85 -96.59 169.4 9.91 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.22 -0.925 . . . . 0.0 109.155 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 1.08 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -136.55 133.28 36.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.192 -0.942 . . . . 0.0 109.989 -179.573 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.894 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.49 89.36 3.07 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.344 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.2 mt-30 -78.36 113.27 16.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.839 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -111.5 113.54 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 109.398 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.551 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 37.4 mtm180 -76.89 98.3 4.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.417 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 170.53 -118.8 0.77 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 5.1 ttm180 173.78 -66.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.366 -1.079 . . . . 0.0 109.213 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.13 -51.21 70.98 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.201 -0.937 . . . . 0.0 109.07 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' C' ' 340' ' ' MET . 8.6 mtm105 -56.23 -41.24 75.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.255 -0.903 . . . . 0.0 108.916 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.894 ' CE1' HD12 ' D' ' 330' ' ' LEU . 71.8 t80 -57.06 -42.01 79.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.322 -0.861 . . . . 0.0 108.871 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.423 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 17.8 mt-10 -60.22 -40.78 91.37 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 3.5 mtp -53.29 -50.28 65.22 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.599 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.3 m-85 -66.42 -26.08 67.05 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.567 -0.708 . . . . 0.0 109.103 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.423 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -63.55 -37.39 87.15 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.434 -0.791 . . . . 0.0 109.006 179.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 49.5 tp10 -70.51 -49.35 49.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 108.747 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.723 HD12 HD12 ' B' ' 344' ' ' LEU . 0.9 OUTLIER -60.01 -22.69 62.92 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.051 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.577 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.0 OUTLIER -87.42 -25.27 23.87 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' C' ' 350' ' ' LEU . 21.5 tp10 -72.19 -40.89 67.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.432 -0.793 . . . . 0.0 109.203 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.912 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -75.88 -45.49 35.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.309 -0.87 . . . . 0.0 109.38 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.54 HD11 ' CD1' ' B' ' 344' ' ' LEU . 80.0 mt -56.95 -51.82 67.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.022 -1.049 . . . . 0.0 108.94 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.79 -28.49 69.49 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 1.023 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -68.76 -29.86 68.34 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.447 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.734 ' HG3' HD22 ' B' ' 350' ' ' LEU . 6.7 tttt -61.9 -41.89 98.44 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.82 -32.21 73.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.412 -0.805 . . . . 0.0 108.909 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.454 -0.779 . . . . 0.0 109.304 179.747 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.551 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 6.3 m-85 -103.07 107.01 17.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.371 -0.831 . . . . 0.0 109.493 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 54.8 m-85 -96.74 169.11 10.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.925 . . . . 0.0 109.07 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 1.08 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -136.38 133.06 36.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.114 -0.992 . . . . 0.0 109.97 -179.503 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.894 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.13 89.35 3.07 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.495 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.2 mt-30 -78.43 112.97 16.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.258 -0.901 . . . . 0.0 109.815 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -111.06 113.74 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.326 -0.859 . . . . 0.0 109.399 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.544 ' HG2' ' CZ ' ' C' ' 327' ' ' TYR . 36.6 mtm180 -77.09 98.61 5.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.147 -0.971 . . . . 0.0 109.501 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 170.08 -119.03 0.79 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.588 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 5.1 ttm180 174.21 -66.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -1.098 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.12 -50.95 72.08 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.296 -0.878 . . . . 0.0 109.256 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' D' ' 340' ' ' MET . 8.7 mtm105 -56.44 -41.14 75.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.211 -0.93 . . . . 0.0 108.976 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.894 ' CE1' HD12 ' C' ' 330' ' ' LEU . 72.3 t80 -57.15 -41.95 80.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.3 -0.875 . . . . 0.0 108.817 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' D' ' 342' ' ' ARG . 17.8 mt-10 -60.13 -40.99 91.72 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.496 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.6 mtp -53.14 -50.37 64.67 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.595 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.3 m-85 -66.37 -26.15 67.13 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.549 -0.72 . . . . 0.0 109.072 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -63.47 -37.23 86.49 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.326 -0.859 . . . . 0.0 109.03 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.462 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 49.4 tp10 -70.52 -49.66 45.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.272 -0.892 . . . . 0.0 108.694 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.72 HD12 HD12 ' A' ' 344' ' ' LEU . 0.8 OUTLIER -60.02 -22.67 62.91 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.568 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.0 OUTLIER -87.2 -25.45 24.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' D' ' 350' ' ' LEU . 21.3 tp10 -71.82 -41.11 68.61 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.338 -0.851 . . . . 0.0 109.205 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.974 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -75.37 -47.16 28.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.291 -0.881 . . . . 0.0 109.391 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 344' ' ' LEU . 78.8 mt -55.44 -52.03 64.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.083 -1.01 . . . . 0.0 108.967 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.97 -28.37 69.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.288 -0.883 . . . . 0.0 108.761 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 1.038 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -69.05 -29.46 67.6 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.407 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.725 ' HG3' HD22 ' A' ' 350' ' ' LEU . 6.8 tttt -62.17 -41.8 98.67 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.87 -31.95 73.42 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.425 -0.797 . . . . 0.0 108.853 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.352 -0.842 . . . . 0.0 109.322 179.763 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 5.2 m-85 -115.2 108.61 16.82 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.29 -0.881 . . . . 0.0 109.21 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 44.0 m-85 -97.55 174.43 6.66 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.224 -0.922 . . . . 0.0 108.661 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.129 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -136.9 133.77 36.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.105 -0.997 . . . . 0.0 109.732 -179.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.895 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -114.64 97.15 6.11 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.661 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.703 ' HG2' HG23 ' B' ' 329' ' ' THR . 78.3 mt-30 -88.24 112.05 22.35 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.33 -0.856 . . . . 0.0 108.882 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 338' ' ' PHE . 3.2 mt -107.27 113.77 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.433 -0.792 . . . . 0.0 110.008 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.501 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 9.7 ttp180 -77.96 91.31 4.2 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.238 -0.914 . . . . 0.0 108.765 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.67 -130.9 1.74 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -173.1 -48.62 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.35 -1.088 . . . . 0.0 108.865 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.28 -31.93 55.17 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.268 -0.895 . . . . 0.0 108.913 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.702 ' HD3' HD22 ' B' ' 348' ' ' LEU . 8.2 mtm-85 -72.36 -45.88 57.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.221 -0.925 . . . . 0.0 108.6 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.882 ' CE1' HD12 ' B' ' 330' ' ' LEU . 49.9 t80 -62.06 -30.2 70.82 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.218 -0.926 . . . . 0.0 108.603 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.35 -45.33 66.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.23 -0.919 . . . . 0.0 108.9 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.414 ' SD ' ' CD ' ' C' ' 343' ' ' GLU . 6.4 mtp -49.5 -47.49 48.65 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.994 0.902 . . . . 0.0 109.219 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.564 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.2 m-85 -66.72 -39.29 87.95 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.868 0.842 . . . . 0.0 108.963 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 1.8 ttp85 -50.42 -32.46 17.79 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.27 -60.54 2.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.481 -0.762 . . . . 0.0 109.785 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.693 ' CD1' HD11 ' D' ' 348' ' ' LEU . 1.4 mm? -57.17 -63.19 1.3 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.955 -1.09 . . . . 0.0 108.638 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 21.5 t-20 -44.85 -30.88 1.06 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.586 -0.696 . . . . 0.0 109.342 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 8.0 mm-40 -69.34 -49.09 58.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.169 -0.957 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.642 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -60.69 -44.75 96.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.151 -0.968 . . . . 0.0 109.836 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.676 HD11 ' CD1' ' D' ' 344' ' ' LEU . 60.9 mt -55.75 -51.76 66.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.969 . . . . 0.0 108.54 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.96 -25.56 65.3 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.95 ' CD1' HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.58 -31.92 67.49 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.1 -1.0 . . . . 0.0 108.514 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.443 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 23.0 tttm -63.02 -40.1 96.75 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.96 -25.58 61.92 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.18 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.725 0 O-C-N 121.303 -0.873 . . . . 0.0 109.868 -179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.501 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 4.9 m-85 -116.12 104.69 11.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.216 -0.927 . . . . 0.0 109.691 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 46.9 m-85 -95.29 169.09 10.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.064 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.129 HG22 HG22 ' A' ' 329' ' ' THR . 0.3 OUTLIER -131.21 140.34 49.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.263 -0.898 . . . . 0.0 109.691 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.882 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -120.34 90.51 3.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.355 -0.841 . . . . 0.0 108.791 179.437 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.611 ' HG2' HG23 ' A' ' 329' ' ' THR . 74.5 mt-30 -82.09 112.01 18.75 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.86 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' B' ' 338' ' ' PHE . 3.2 mt -106.46 114.99 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.329 -0.857 . . . . 0.0 109.527 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.526 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 9.7 ttp180 -79.37 90.38 5.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 0.0 108.976 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.14 -129.68 1.51 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -173.16 -49.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -1.053 . . . . 0.0 108.923 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.0 -31.54 59.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.331 -0.856 . . . . 0.0 109.004 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.612 ' HD3' HD22 ' A' ' 348' ' ' LEU . 6.8 mtm-85 -72.82 -46.37 53.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.363 -0.836 . . . . 0.0 108.946 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.895 ' CE1' HD12 ' A' ' 330' ' ' LEU . 49.9 t80 -61.76 -29.85 70.4 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.68 -47.01 62.07 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.427 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 7.0 mtp -48.89 -48.05 42.67 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.558 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.3 m-85 -66.05 -37.49 85.97 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 1.9 ttp85 -53.17 -28.79 28.16 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.4 tt0 -76.41 -63.07 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.459 -0.776 . . . . 0.0 109.102 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.684 ' CD1' HD11 ' C' ' 348' ' ' LEU . 1.7 mm? -54.13 -67.64 0.25 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.044 -1.035 . . . . 0.0 108.283 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 345' ' ' ASN . 21.9 t30 -41.56 -28.04 0.12 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.646 -0.659 . . . . 0.0 109.676 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 7.4 mm-40 -73.21 -48.3 36.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.187 -0.946 . . . . 0.0 109.449 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.639 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -60.89 -45.51 94.33 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.199 -0.938 . . . . 0.0 109.472 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.702 HD22 ' HD3' ' A' ' 337' ' ' ARG . 56.8 mt -55.21 -52.14 64.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.138 -0.976 . . . . 0.0 108.768 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.69 -26.36 65.52 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.282 -0.887 . . . . 0.0 108.697 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.945 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -70.26 -34.02 72.31 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 22.6 tttm -61.42 -39.41 90.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.421 -0.799 . . . . 0.0 108.877 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.11 -24.0 60.57 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.415 -0.803 . . . . 0.0 109.189 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.317 -0.864 . . . . 0.0 109.417 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' D' ' 333' ' ' ARG . 4.8 m-85 -116.57 104.42 11.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.156 -0.965 . . . . 0.0 109.572 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 47.2 m-85 -94.07 171.9 8.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.27 -0.894 . . . . 0.0 109.177 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -134.62 135.84 42.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.115 -0.991 . . . . 0.0 109.81 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.955 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -117.02 91.55 3.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.27 -0.894 . . . . 0.0 109.082 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.657 ' HG2' HG23 ' D' ' 329' ' ' THR . 74.6 mt-30 -82.83 112.37 19.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.375 -0.828 . . . . 0.0 109.61 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' C' ' 338' ' ' PHE . 3.2 mt -107.0 114.71 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.383 -0.823 . . . . 0.0 109.633 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' D' ' 327' ' ' TYR . 10.2 ttp180 -78.51 90.5 4.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.255 -0.903 . . . . 0.0 109.262 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.2 -130.71 1.73 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -171.54 -49.08 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.333 -1.098 . . . . 0.0 109.034 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.14 -31.82 58.79 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.349 -0.845 . . . . 0.0 109.023 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.601 ' HD3' HD22 ' D' ' 348' ' ' LEU . 6.8 mtm-85 -72.69 -46.05 55.69 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.287 -0.883 . . . . 0.0 108.739 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.937 ' CE1' HD12 ' D' ' 330' ' ' LEU . 49.5 t80 -61.99 -30.35 70.88 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.22 -46.87 63.61 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.3 mtp -48.71 -48.18 40.6 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.555 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.3 m-85 -65.99 -37.61 86.39 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 ttp85 -53.0 -27.92 21.49 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.3 tt0 -77.53 -62.8 1.54 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.638 ' CD1' HD11 ' B' ' 348' ' ' LEU . 1.5 mm? -54.03 -68.09 0.21 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.064 -1.022 . . . . 0.0 108.308 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' C' ' 345' ' ' ASN . 22.0 t30 -41.14 -29.44 0.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.652 -0.655 . . . . 0.0 109.927 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 7.7 mm-40 -72.15 -48.32 44.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.151 -0.968 . . . . 0.0 109.775 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.636 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -61.44 -42.43 98.75 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.297 -0.877 . . . . 0.0 109.362 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' B' ' 344' ' ' LEU . 60.4 mt -58.14 -51.89 67.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.039 -1.038 . . . . 0.0 108.682 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.5 -26.2 65.09 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.305 -0.872 . . . . 0.0 108.787 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.945 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -70.48 -33.2 70.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.514 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 23.0 tttm -62.12 -38.97 90.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.475 -0.766 . . . . 0.0 108.986 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.3 -23.99 60.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.324 -0.86 . . . . 0.0 109.054 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 0.0 109.472 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' C' ' 333' ' ' ARG . 4.8 m-85 -116.36 104.88 11.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.139 -0.975 . . . . 0.0 109.657 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 47.8 m-85 -94.55 171.6 8.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -0.924 . . . . 0.0 109.105 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -134.34 136.22 43.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.221 -0.924 . . . . 0.0 109.834 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.937 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -117.3 91.7 3.65 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.382 -0.824 . . . . 0.0 109.064 179.552 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.664 ' HG2' HG23 ' C' ' 329' ' ' THR . 74.4 mt-30 -82.85 112.61 19.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.249 -0.907 . . . . 0.0 109.629 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' D' ' 338' ' ' PHE . 3.2 mt -107.1 114.59 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.285 -0.885 . . . . 0.0 109.614 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.559 ' HB2' ' CE1' ' C' ' 327' ' ' TYR . 10.0 ttp180 -78.43 90.86 4.45 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.249 -0.907 . . . . 0.0 109.356 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.89 -130.38 1.69 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -171.87 -48.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -1.119 . . . . 0.0 109.08 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.24 -31.63 58.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.419 -0.8 . . . . 0.0 109.075 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.607 ' HD3' HD22 ' C' ' 348' ' ' LEU . 6.9 mtm-85 -72.77 -46.05 55.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.295 -0.878 . . . . 0.0 108.762 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.955 ' CE1' HD12 ' C' ' 330' ' ' LEU . 50.5 t80 -62.03 -30.16 70.77 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.267 -0.896 . . . . 0.0 108.714 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.35 -46.78 63.46 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.245 -0.909 . . . . 0.0 108.689 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.416 ' HE1' ' HG2' ' B' ' 343' ' ' GLU . 7.2 mtp -48.93 -48.44 42.79 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.554 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.3 m-85 -65.6 -37.06 85.55 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 ttp85 -53.72 -28.02 31.63 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.3 tt0 -77.08 -63.05 1.45 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.477 -0.764 . . . . 0.0 109.099 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.676 ' CD1' HD11 ' A' ' 348' ' ' LEU . 1.5 mm? -54.25 -67.45 0.26 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.095 -1.003 . . . . 0.0 108.412 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.46 ' O ' ' OD1' ' D' ' 345' ' ' ASN . 22.9 t30 -41.48 -29.17 0.15 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.585 -0.697 . . . . 0.0 109.738 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 7.6 mm-40 -71.96 -48.54 44.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 109.595 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.645 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -60.77 -45.19 95.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.271 -0.893 . . . . 0.0 109.385 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.693 HD11 ' CD1' ' A' ' 344' ' ' LEU . 61.2 mt -55.6 -52.22 64.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.183 -0.948 . . . . 0.0 108.789 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.6 -26.63 65.61 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.95 HD11 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -69.86 -33.8 72.74 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 23.0 tttm -62.04 -38.68 89.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.477 -0.764 . . . . 0.0 108.956 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.84 -23.97 59.7 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.31 -0.868 . . . . 0.0 109.03 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.332 -0.855 . . . . 0.0 109.491 179.858 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.272 0.558 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' B' ' 333' ' ' ARG . 20.2 m-30 -114.37 126.3 54.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.265 -0.897 . . . . 0.0 109.546 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.614 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 74.3 m-85 -122.36 138.59 54.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.349 -0.844 . . . . 0.0 108.99 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.021 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -102.81 131.97 49.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.938 -1.101 . . . . 0.0 109.695 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.422 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.7 OUTLIER -114.54 96.32 5.69 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 54.5 tt0 -89.25 109.97 20.79 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.269 -0.895 . . . . 0.0 109.264 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 6.1 mt -110.01 127.87 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.395 -0.816 . . . . 0.0 109.755 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.544 ' HG2' ' CD1' ' B' ' 327' ' ' TYR . 23.4 mtm105 -89.98 107.02 18.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.315 -0.866 . . . . 0.0 109.008 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 171.98 -114.2 0.52 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 7.2 ttt180 164.08 -39.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.552 -0.969 . . . . 0.0 108.928 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -84.77 -47.21 10.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.993 ' CD ' HD13 ' B' ' 348' ' ' LEU . 2.2 mtm180 -61.51 -38.01 85.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.303 -0.873 . . . . 0.0 109.06 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.618 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 58.3 t80 -62.38 -30.89 71.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 108.93 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.24 -44.71 64.8 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.292 -0.88 . . . . 0.0 109.325 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.7 mtm -54.93 -46.03 74.9 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.485 -0.759 . . . . 0.0 109.655 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.58 ' HE1' HD11 ' C' ' 344' ' ' LEU . 5.1 m-30 -66.94 -38.87 86.94 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.723 0.773 . . . . 0.0 109.899 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 1.8 mtp180 -51.68 -38.66 55.96 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -73.83 -53.21 10.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.421 -0.799 . . . . 0.0 110.002 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.714 HD12 HD12 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -47.14 -60.6 2.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.193 -0.942 . . . . 0.0 109.661 -179.422 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.582 ' HA ' HD12 ' A' ' 348' ' ' LEU . 4.8 p30 -63.71 -22.74 67.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.13 -0.981 . . . . 0.0 109.862 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 343' ' ' GLU . 11.5 tt0 -61.67 -46.28 90.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.941 -1.1 . . . . 0.0 109.67 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.626 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -71.74 -46.59 58.07 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.209 -0.932 . . . . 0.0 109.969 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.958 HD13 ' CD ' ' B' ' 337' ' ' ARG . 50.8 mt -48.64 -50.92 30.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.137 -0.977 . . . . 0.0 108.788 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -35.03 74.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.117 -0.989 . . . . 0.0 108.551 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 1.035 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -61.59 -30.2 70.52 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.518 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 17.8 tttt -63.43 -45.16 92.23 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -15.19 62.41 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.491 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.729 0 O-C-N 121.236 -0.915 . . . . 0.0 110.043 -179.769 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.274 0.559 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 333' ' ' ARG . 20.6 m-30 -113.59 126.56 55.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.618 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 74.1 m-85 -122.86 138.18 54.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.322 -0.861 . . . . 0.0 109.197 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.021 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -101.31 138.1 38.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.973 -1.079 . . . . 0.0 109.37 179.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.419 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -120.63 88.44 2.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 109.091 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 52.4 tt0 -81.39 110.87 17.22 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.242 -0.911 . . . . 0.0 110.084 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -110.89 127.99 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.315 -0.866 . . . . 0.0 109.082 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.585 ' HG2' ' CD1' ' A' ' 327' ' ' TYR . 24.2 mtm105 -90.7 105.79 18.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.335 -0.853 . . . . 0.0 109.212 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' B' ' 335' ' ' ARG . . . 172.88 -112.58 0.44 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' B' ' 334' ' ' GLY . 7.7 ttt180 162.95 -39.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.541 -0.976 . . . . 0.0 108.925 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -84.26 -46.61 11.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 0.0 109.323 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.958 ' CD ' HD13 ' A' ' 348' ' ' LEU . 2.6 mtm180 -61.92 -39.46 92.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.154 -0.966 . . . . 0.0 109.225 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.614 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 58.3 t80 -61.41 -29.76 70.14 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.28 -0.888 . . . . 0.0 109.093 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.59 -45.97 56.54 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.368 -0.832 . . . . 0.0 108.977 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 mtm -54.52 -47.61 72.93 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.266 -0.896 . . . . 0.0 108.965 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.571 ' HE1' HD11 ' D' ' 344' ' ' LEU . 5.2 m-30 -65.15 -38.69 91.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.732 . . . . 0.0 109.44 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 1.5 mtp180 -52.44 -36.63 55.05 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.327 -0.858 . . . . 0.0 109.317 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' B' ' 346' ' ' GLU . 0.4 OUTLIER -75.85 -52.27 10.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.504 -0.747 . . . . 0.0 109.873 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.729 HD12 HD12 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -47.66 -60.64 2.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.118 -0.989 . . . . 0.0 109.512 -179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.573 ' HA ' HD12 ' B' ' 348' ' ' LEU . 4.1 p30 -63.19 -22.34 66.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.21 -0.931 . . . . 0.0 109.8 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.468 ' HB3' ' O ' ' B' ' 343' ' ' GLU . 11.4 tt0 -62.4 -47.18 85.24 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.093 -1.005 . . . . 0.0 109.639 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.628 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -70.52 -48.19 56.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.164 -0.96 . . . . 0.0 109.644 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.993 HD13 ' CD ' ' A' ' 337' ' ' ARG . 57.2 mt -46.83 -51.94 15.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 109.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -36.39 76.96 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.304 -0.873 . . . . 0.0 108.658 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 1.051 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -59.22 -31.85 69.42 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.35 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.52 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 17.8 tttt -62.15 -44.52 96.43 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.39 -13.97 61.59 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.449 -0.782 . . . . 0.0 109.443 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.221 -0.925 . . . . 0.0 109.775 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.234 0.54 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' D' ' 333' ' ' ARG . 20.4 m-30 -114.1 126.53 55.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.395 -0.815 . . . . 0.0 109.518 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.604 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 75.5 m-85 -122.49 138.32 54.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.36 -0.837 . . . . 0.0 109.146 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.957 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -102.24 133.91 46.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.051 -1.031 . . . . 0.0 109.686 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.443 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.7 OUTLIER -116.96 90.51 3.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.359 -0.838 . . . . 0.0 109.188 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 53.1 tt0 -83.17 111.3 18.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.282 -0.887 . . . . 0.0 109.851 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.33 127.77 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.301 -0.875 . . . . 0.0 109.273 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.57 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 24.8 mtm105 -90.25 106.5 18.53 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.471 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 171.93 -113.04 0.47 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 7.1 ttt180 163.83 -39.9 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.436 -1.037 . . . . 0.0 108.937 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -83.8 -47.25 11.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.365 -0.834 . . . . 0.0 109.336 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.938 ' CD ' HD13 ' D' ' 348' ' ' LEU . 2.5 mtm180 -61.48 -38.98 89.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.314 -0.866 . . . . 0.0 109.262 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.618 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 59.0 t80 -61.67 -30.39 70.7 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.149 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -71.8 -45.41 61.63 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 109.093 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 mtm -55.1 -45.64 75.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.331 -0.855 . . . . 0.0 109.006 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.568 ' HE1' HD11 ' A' ' 344' ' ' LEU . 5.2 m-30 -66.77 -38.64 86.99 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.406 -0.809 . . . . 0.0 109.482 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 mtp180 -52.27 -36.02 51.61 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.315 -0.866 . . . . 0.0 109.375 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -76.59 -52.66 9.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.308 -0.87 . . . . 0.0 109.698 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.729 HD12 HD12 ' B' ' 344' ' ' LEU . 0.5 OUTLIER -47.2 -61.45 1.89 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.315 -0.865 . . . . 0.0 109.424 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.583 ' HA ' HD12 ' C' ' 348' ' ' LEU . 5.0 p30 -63.08 -22.46 66.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.06 -1.025 . . . . 0.0 110.045 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.468 ' HB3' ' O ' ' C' ' 343' ' ' GLU . 11.8 tt0 -62.26 -46.85 86.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.98 -1.075 . . . . 0.0 109.586 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.697 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -70.47 -47.46 60.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.614 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.958 HD13 ' CD ' ' D' ' 337' ' ' ARG . 56.5 mt -47.91 -52.1 20.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.023 -1.048 . . . . 0.0 109.118 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -36.34 76.21 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 1.051 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -59.61 -31.17 69.24 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.49 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.51 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 18.0 tttt -62.67 -44.27 96.69 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -13.81 61.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.411 -0.806 . . . . 0.0 109.402 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 109.741 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.277 0.56 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' C' ' 333' ' ' ARG . 20.4 m-30 -114.28 126.6 55.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.618 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 76.5 m-85 -122.58 138.43 54.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.279 -0.888 . . . . 0.0 109.118 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.957 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -102.13 134.61 45.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.081 -1.012 . . . . 0.0 109.597 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.431 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.7 OUTLIER -117.66 90.44 3.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.886 . . . . 0.0 109.122 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 53.2 tt0 -82.9 111.13 18.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.327 -0.858 . . . . 0.0 109.86 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.12 127.82 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 0.0 109.349 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.579 ' HG2' ' CD1' ' C' ' 327' ' ' TYR . 24.6 mtm105 -90.28 106.63 18.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 0.0 109.406 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 171.74 -112.87 0.46 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 7.2 ttt180 163.67 -40.11 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.47 -1.018 . . . . 0.0 108.916 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -83.75 -47.16 11.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.241 -0.912 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.958 ' CD ' HD13 ' C' ' 348' ' ' LEU . 2.5 mtm180 -61.53 -38.91 89.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.213 -0.929 . . . . 0.0 109.216 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.604 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 58.6 t80 -61.75 -30.48 70.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.287 -0.883 . . . . 0.0 109.039 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -71.69 -45.54 61.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.37 -0.831 . . . . 0.0 109.07 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.8 mtm -55.05 -45.49 75.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.331 -0.855 . . . . 0.0 109.139 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.571 ' HE1' HD11 ' B' ' 344' ' ' LEU . 5.2 m-30 -66.86 -38.79 87.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.816 . . . . 0.0 109.32 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 mtp180 -52.18 -35.91 50.27 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.385 -0.822 . . . . 0.0 109.453 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -76.73 -52.1 10.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.303 -0.873 . . . . 0.0 109.632 -179.83 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -47.82 -61.37 1.98 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.91 . . . . 0.0 109.549 -179.646 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.582 ' HA ' HD12 ' D' ' 348' ' ' LEU . 4.9 p30 -63.11 -22.06 66.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.163 -0.96 . . . . 0.0 110.009 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 11.6 tt0 -62.46 -47.04 85.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.084 -1.01 . . . . 0.0 109.468 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.722 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -70.4 -47.74 59.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 109.643 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.938 HD13 ' CD ' ' C' ' 337' ' ' ARG . 57.4 mt -47.48 -51.93 18.83 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.146 -0.971 . . . . 0.0 109.104 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -36.54 77.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 0.0 108.722 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 1.035 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -59.29 -31.42 69.11 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.385 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.511 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 18.4 tttt -62.59 -44.47 96.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.436 -0.79 . . . . 0.0 108.952 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.31 -14.08 61.65 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.452 -0.78 . . . . 0.0 109.283 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 0.0 109.786 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.584 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -99.55 111.5 23.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.171 -0.956 . . . . 0.0 109.593 -179.738 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' B' ' 335' ' ' ARG . 52.3 m-85 -104.29 161.86 13.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -0.915 . . . . 0.0 109.495 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.126 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -120.52 132.64 55.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.211 -0.931 . . . . 0.0 109.873 -179.659 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.504 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -113.26 94.76 5.03 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 178.001 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.682 ' HG2' HG23 ' B' ' 329' ' ' THR . 27.3 mt-30 -86.93 119.55 27.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 109.034 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.487 HG12 ' OD1' ' B' ' 345' ' ' ASN . 4.8 mt -126.4 126.4 69.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.423 -0.798 . . . . 0.0 109.626 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.586 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 2.8 mtm105 -79.94 138.5 37.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.256 -0.903 . . . . 0.0 109.064 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 132.91 -131.92 6.35 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.572 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER 178.35 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.439 -1.036 . . . . 0.0 108.902 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -41.45 81.31 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.295 -0.878 . . . . 0.0 108.917 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.412 ' HD3' HD22 ' B' ' 348' ' ' LEU . 30.0 mtm180 -67.31 -39.58 85.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.329 -0.857 . . . . 0.0 108.791 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.503 ' CZ ' ' HG ' ' B' ' 330' ' ' LEU . 53.5 t80 -61.21 -30.79 70.64 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -72.61 -39.11 67.53 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.38 -0.825 . . . . 0.0 109.218 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.466 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 10.1 mtp -57.78 -54.34 48.01 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.93 0.871 . . . . 0.0 109.49 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CE1' HD11 ' C' ' 344' ' ' LEU . 9.5 m-85 -63.14 -36.38 83.44 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.598 0.713 . . . . 0.0 109.465 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -40.02 67.97 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.94 -43.89 82.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.399 -0.813 . . . . 0.0 109.018 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.872 HD12 HD12 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -61.7 -26.97 68.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.169 -0.957 . . . . 0.0 109.118 179.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.458 ' OD1' HG12 ' B' ' 332' ' ' ILE . 1.1 m-80 -84.86 -19.49 32.31 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.184 -0.948 . . . . 0.0 108.935 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -71.83 -45.31 61.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.518 -0.739 . . . . 0.0 109.051 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.691 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -74.11 -48.79 27.22 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.324 -0.86 . . . . 0.0 109.269 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.799 HD23 ' HB2' ' D' ' 347' ' ' ALA . 66.2 mt -52.26 -51.92 55.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 108.804 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -60.15 -31.55 70.2 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.293 -0.879 . . . . 0.0 108.649 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 1.005 ' CD1' HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -65.38 -31.18 72.15 Favored 'General case' 0 C--N 1.311 -1.095 0 O-C-N 120.959 -1.088 . . . . 0.0 108.397 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.439 ' CA ' HD21 ' D' ' 350' ' ' LEU . 7.1 ttpp -66.06 -40.13 90.66 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.96 -38.08 69.89 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.414 -0.804 . . . . 0.0 109.31 179.272 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.28 0.562 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -99.06 112.2 24.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 109.554 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 52.1 m-85 -105.55 160.65 15.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.199 -0.938 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.126 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.85 141.68 48.15 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 0.0 109.225 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.503 ' HG ' ' CZ ' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -122.37 81.37 1.83 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.538 ' HG2' HG23 ' A' ' 329' ' ' THR . 32.1 mt-30 -74.21 122.34 22.65 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.354 -0.841 . . . . 0.0 110.104 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.458 HG12 ' OD1' ' A' ' 345' ' ' ASN . 4.5 mt -129.14 126.91 65.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.419 -0.801 . . . . 0.0 108.853 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 2.7 mtm105 -81.36 138.07 35.67 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.23 -0.919 . . . . 0.0 109.251 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 132.65 -131.32 6.14 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER 178.48 -50.12 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -1.065 . . . . 0.0 108.907 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -41.31 82.53 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.337 -0.852 . . . . 0.0 109.059 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -67.33 -41.22 85.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.313 -0.867 . . . . 0.0 108.923 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.504 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 52.8 t80 -59.59 -31.0 69.06 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.09 -39.74 65.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.364 -0.835 . . . . 0.0 108.751 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.447 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 10.6 mtp -57.61 -55.33 36.27 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.337 -0.852 . . . . 0.0 108.901 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 344' ' ' LEU . 12.8 m-85 -62.59 -34.71 77.55 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.465 -0.772 . . . . 0.0 109.233 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -41.32 72.92 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.275 -0.891 . . . . 0.0 108.819 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.3 -43.19 91.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.41 -0.806 . . . . 0.0 109.184 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.865 HD12 HD12 ' C' ' 344' ' ' LEU . 0.8 OUTLIER -62.91 -25.32 68.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.283 -0.886 . . . . 0.0 108.877 179.751 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.487 ' OD1' HG12 ' A' ' 332' ' ' ILE . 1.1 m-80 -86.72 -17.96 32.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 108.83 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -73.12 -45.6 55.98 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.721 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -73.41 -49.52 26.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.331 -0.856 . . . . 0.0 109.164 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.778 HD23 ' HB2' ' C' ' 347' ' ' ALA . 58.5 mt -52.05 -51.33 58.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.065 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -60.74 -33.32 72.75 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.279 -0.888 . . . . 0.0 108.776 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 1.002 ' CD1' HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -63.21 -32.43 73.82 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.449 ' CA ' HD21 ' C' ' 350' ' ' LEU . 7.1 ttpp -65.63 -40.18 92.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.423 -0.798 . . . . 0.0 108.873 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.03 -35.16 66.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.385 -0.822 . . . . 0.0 108.926 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.445 -0.784 . . . . 0.0 109.251 179.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.277 0.56 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 0.2 OUTLIER -99.47 111.33 23.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.195 -0.941 . . . . 0.0 109.53 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CZ ' ' HD2' ' D' ' 335' ' ' ARG . 51.8 m-85 -104.05 161.93 13.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.246 -0.909 . . . . 0.0 109.575 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 1.032 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -120.17 135.67 54.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.209 -0.932 . . . . 0.0 109.773 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.491 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -116.77 84.42 2.14 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.388 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.611 ' HG2' HG23 ' D' ' 329' ' ' THR . 30.6 mt-30 -76.73 122.11 24.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.308 -0.87 . . . . 0.0 109.911 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.46 HG12 ' OD1' ' D' ' 345' ' ' ASN . 4.5 mt -129.22 125.95 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.395 -0.816 . . . . 0.0 109.162 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.565 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 2.7 mtm105 -80.05 137.8 36.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.178 -0.952 . . . . 0.0 109.588 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 132.59 -131.37 6.17 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.498 ' HD2' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER 179.0 -50.82 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.354 -1.086 . . . . 0.0 109.094 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -41.64 84.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 0.0 108.989 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.405 ' HD3' HD22 ' D' ' 348' ' ' LEU . 27.8 mtm180 -67.2 -40.82 86.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.253 -0.904 . . . . 0.0 109.0 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.49 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 53.2 t80 -59.92 -31.43 69.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.232 -0.918 . . . . 0.0 108.695 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.3 -39.82 67.99 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.466 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 11.0 mtp -57.58 -55.08 39.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.455 -0.778 . . . . 0.0 109.021 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' D' ' 344' ' ' LEU . 12.8 m-85 -62.56 -34.62 77.32 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.397 -0.814 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -40.92 72.51 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.249 -0.907 . . . . 0.0 108.898 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.55 -43.19 90.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.284 -0.885 . . . . 0.0 109.05 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.865 HD12 HD12 ' B' ' 344' ' ' LEU . 0.5 OUTLIER -63.21 -25.23 68.24 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.369 -0.832 . . . . 0.0 108.998 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.482 ' OD1' HG12 ' D' ' 332' ' ' ILE . 1.1 m-80 -86.86 -18.46 30.86 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -73.11 -45.7 55.49 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.405 -0.81 . . . . 0.0 108.993 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.778 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -73.16 -48.07 38.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.355 -0.841 . . . . 0.0 109.106 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.721 HD23 ' HB2' ' B' ' 347' ' ' ALA . 59.8 mt -53.71 -51.81 62.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.182 -0.949 . . . . 0.0 108.961 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -60.14 -33.05 71.63 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.237 -0.914 . . . . 0.0 108.677 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 1.002 HD11 ' CD1' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -63.44 -32.67 74.18 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.525 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.457 ' CA ' HD21 ' B' ' 350' ' ' LEU . 7.2 ttpp -65.36 -40.02 93.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.413 -0.805 . . . . 0.0 108.889 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.14 -35.09 66.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.386 -0.822 . . . . 0.0 108.959 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.47 0 O-C-N 121.372 -0.83 . . . . 0.0 109.27 179.834 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.565 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 0.2 OUTLIER -99.4 111.67 23.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.911 . . . . 0.0 109.519 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.498 ' CZ ' ' HD2' ' C' ' 335' ' ' ARG . 51.5 m-85 -104.51 162.37 13.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.307 -0.871 . . . . 0.0 109.381 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 1.032 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -120.71 135.77 55.04 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.28 -0.887 . . . . 0.0 109.668 -179.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.49 ' HG ' ' CZ ' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -116.81 84.42 2.14 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 108.675 179.451 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.599 ' HG2' HG23 ' C' ' 329' ' ' THR . 30.5 mt-30 -76.54 122.06 24.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.306 -0.871 . . . . 0.0 109.883 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.482 HG12 ' OD1' ' C' ' 345' ' ' ASN . 4.5 mt -129.29 125.79 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.084 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.55 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 2.7 mtm105 -79.91 137.93 37.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.185 -0.947 . . . . 0.0 109.748 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 132.39 -131.45 6.24 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.512 ' HD2' ' CZ ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER 179.27 -50.77 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.367 -1.078 . . . . 0.0 109.123 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -41.98 84.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.374 -0.829 . . . . 0.0 109.04 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.432 ' HD3' HD22 ' C' ' 348' ' ' LEU . 27.4 mtm180 -66.78 -40.75 88.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.292 -0.88 . . . . 0.0 109.061 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.491 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 53.0 t80 -60.34 -30.93 69.84 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.243 -0.911 . . . . 0.0 108.636 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.68 -39.3 67.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.383 -0.823 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.447 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 10.5 mtp -58.21 -55.1 39.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.359 -0.838 . . . . 0.0 108.949 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' C' ' 344' ' ' LEU . 12.6 m-85 -62.5 -34.4 76.8 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.522 -0.736 . . . . 0.0 109.227 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -40.56 73.15 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.259 -0.901 . . . . 0.0 108.944 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.29 -42.12 88.83 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.425 -0.797 . . . . 0.0 109.192 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.872 HD12 HD12 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -64.07 -25.21 68.0 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 108.931 179.671 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.46 ' OD1' HG12 ' C' ' 332' ' ' ILE . 1.1 m-80 -86.68 -18.08 32.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.244 -0.91 . . . . 0.0 108.819 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.22 -45.73 54.39 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.799 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -72.83 -49.68 28.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.343 -0.848 . . . . 0.0 109.033 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.691 HD23 ' HB2' ' A' ' 347' ' ' ALA . 60.1 mt -51.97 -51.65 55.72 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.261 -0.899 . . . . 0.0 109.071 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -60.61 -33.14 72.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.275 -0.891 . . . . 0.0 108.809 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 1.005 HD11 ' CD1' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -63.45 -32.2 73.57 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.445 ' CA ' HD21 ' A' ' 350' ' ' LEU . 7.3 ttpp -65.83 -39.84 91.21 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.383 -0.823 . . . . 0.0 108.945 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.4 -34.85 67.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.344 -0.848 . . . . 0.0 108.903 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.37 -0.831 . . . . 0.0 109.333 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -102.56 120.42 40.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 109.567 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.507 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 47.1 m-85 -108.26 140.51 41.4 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.22 -0.925 . . . . 0.0 109.27 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.85 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -99.47 130.22 45.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.88 . . . . 0.0 109.733 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.734 HD21 ' ND2' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -114.4 94.75 4.93 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 10.8 tt0 -89.18 109.38 20.25 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.253 -0.905 . . . . 0.0 108.912 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.06 134.17 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.768 . . . . 0.0 109.623 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -84.18 129.21 34.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 109.224 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 137.4 -126.55 3.67 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 3.8 ttt180 176.42 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.412 -1.052 . . . . 0.0 109.07 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.79 -36.81 50.01 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.328 -0.857 . . . . 0.0 109.127 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.69 ' HD2' HD13 ' B' ' 348' ' ' LEU . 24.4 mtm-85 -70.3 -32.41 70.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.253 -0.904 . . . . 0.0 108.805 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 81.1 t80 -67.15 -32.26 73.24 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.19 -0.944 . . . . 0.0 108.527 179.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 18.6 mt-10 -75.11 -36.42 61.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 0.0 108.737 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.509 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 4.4 mtp -55.07 -51.96 64.7 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 122.054 0.93 . . . . 0.0 109.179 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.735 ' HE1' HD11 ' C' ' 344' ' ' LEU . 10.5 m-30 -65.83 -44.29 86.0 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.481 -0.762 . . . . 0.0 109.269 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.484 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 0.4 OUTLIER -44.22 -33.85 1.69 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.521 ' HG2' ' HE1' ' C' ' 340' ' ' MET . 4.0 tt0 -75.55 -44.13 44.98 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.664 -0.814 . . . . 0.0 108.808 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' D' ' 344' ' ' LEU . 1.1 mm? -57.64 -61.77 2.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.25 -0.906 . . . . 0.0 109.273 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.654 ' ND2' HD21 ' B' ' 330' ' ' LEU . 24.4 p-10 -60.08 -19.15 51.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -0.957 . . . . 0.0 109.22 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 0.2 OUTLIER -64.06 -47.59 79.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.052 -1.03 . . . . 0.0 109.548 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.871 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -71.37 -46.11 61.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.269 -0.895 . . . . 0.0 110.003 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 1.01 HD23 ' HB2' ' D' ' 347' ' ' ALA . 58.6 mt -52.59 -47.73 66.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.972 -1.08 . . . . 0.0 108.674 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.39 -32.25 72.18 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 1.107 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.03 -28.71 69.67 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.426 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 23.1 ttpt -65.44 -40.66 93.55 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.75 -38.46 85.23 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.093 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.181 -0.949 . . . . 0.0 109.522 179.757 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -103.02 120.65 41.03 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.155 -0.966 . . . . 0.0 109.483 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 46.2 m-85 -108.88 138.98 44.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.331 -0.856 . . . . 0.0 109.533 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.85 HG22 HG22 ' A' ' 329' ' ' THR . 0.1 OUTLIER -96.34 137.88 34.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.0 109.278 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.654 HD21 ' ND2' ' A' ' 345' ' ' ASN . 0.3 OUTLIER -122.04 83.96 2.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.356 -0.84 . . . . 0.0 108.877 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 12.9 tt0 -79.4 109.4 13.72 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.292 -0.88 . . . . 0.0 110.022 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.36 133.82 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.308 -0.87 . . . . 0.0 109.262 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -84.24 129.08 34.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 137.19 -126.43 3.67 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 3.7 ttt180 176.72 -42.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -1.126 . . . . 0.0 109.131 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -77.35 -35.99 54.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.351 -0.843 . . . . 0.0 109.261 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.6 ' HD2' HD13 ' A' ' 348' ' ' LEU . 26.4 mtm-85 -70.92 -34.1 71.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.12 -0.987 . . . . 0.0 109.045 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.496 ' CD1' HD12 ' A' ' 330' ' ' LEU . 81.8 t80 -66.05 -30.88 71.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.921 . . . . 0.0 108.528 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 17.6 mt-10 -76.73 -37.4 56.09 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.528 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 4.1 mtp -54.85 -52.78 61.72 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.692 ' HE1' HD11 ' D' ' 344' ' ' LEU . 11.2 m-30 -65.63 -43.68 88.76 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.415 -0.803 . . . . 0.0 108.863 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.464 ' O ' ' OD1' ' B' ' 345' ' ' ASN . 0.6 OUTLIER -44.51 -31.87 1.24 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.4 -0.812 . . . . 0.0 108.941 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.505 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 4.2 tt0 -77.34 -43.51 32.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.422 -0.799 . . . . 0.0 108.849 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' C' ' 344' ' ' LEU . 1.5 mm? -57.63 -64.18 0.99 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 108.703 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.734 ' ND2' HD21 ' A' ' 330' ' ' LEU . 27.6 p-10 -58.07 -16.63 13.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.447 -0.783 . . . . 0.0 109.45 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 0.2 OUTLIER -67.87 -46.63 71.16 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.219 -0.926 . . . . 0.0 109.338 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.968 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -71.55 -46.92 58.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.992 HD23 ' HB2' ' C' ' 347' ' ' ALA . 62.5 mt -51.79 -48.45 63.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.187 -0.946 . . . . 0.0 109.039 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.97 -34.07 74.19 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.28 -0.887 . . . . 0.0 108.649 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 1.054 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -62.15 -30.77 71.27 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.459 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 23.0 ttpt -63.4 -40.57 97.58 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.23 -37.48 83.19 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.411 -0.806 . . . . 0.0 109.153 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.235 -0.915 . . . . 0.0 109.206 179.711 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.319 0.581 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -102.9 120.64 40.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.212 -0.93 . . . . 0.0 109.445 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 46.1 m-85 -108.56 139.43 43.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.217 -0.927 . . . . 0.0 109.52 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.79 HG22 HG22 ' D' ' 329' ' ' THR . 0.1 OUTLIER -97.47 133.23 42.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.651 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.716 HD21 ' ND2' ' D' ' 345' ' ' ASN . 0.3 OUTLIER -117.84 86.9 2.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.388 -0.82 . . . . 0.0 109.031 179.581 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.7 tt0 -82.01 109.52 16.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.302 -0.874 . . . . 0.0 109.693 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -107.39 134.57 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.884 . . . . 0.0 109.188 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -84.43 128.93 34.86 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.231 -0.918 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 137.13 -126.24 3.62 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 3.4 ttt180 176.91 -42.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.404 -1.057 . . . . 0.0 109.116 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.99 -36.77 56.17 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.29 -0.881 . . . . 0.0 109.234 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.558 ' HD2' HD13 ' D' ' 348' ' ' LEU . 26.1 mtm-85 -70.35 -33.6 71.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.277 -0.889 . . . . 0.0 108.934 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.446 ' CD1' HD12 ' D' ' 330' ' ' LEU . 80.8 t80 -66.23 -31.58 72.48 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 17.9 mt-10 -76.01 -37.22 58.68 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.521 ' HE1' ' HG2' ' A' ' 343' ' ' GLU . 4.0 mtp -54.75 -52.25 63.11 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.717 ' HE1' HD11 ' A' ' 344' ' ' LEU . 11.1 m-30 -66.0 -43.95 86.22 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.381 -0.825 . . . . 0.0 109.04 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -43.69 -32.3 0.96 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.326 -0.858 . . . . 0.0 108.817 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.477 ' HG2' ' HE1' ' A' ' 340' ' ' MET . 3.9 tt0 -77.04 -43.7 33.57 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' B' ' 344' ' ' LEU . 1.2 mm? -57.49 -64.15 0.99 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.267 -0.896 . . . . 0.0 108.77 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.733 ' ND2' HD21 ' D' ' 330' ' ' LEU . 26.3 p-10 -58.5 -16.46 15.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 109.571 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 0.2 OUTLIER -67.92 -46.64 70.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.165 -0.959 . . . . 0.0 109.252 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.992 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -71.55 -45.34 62.58 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.386 -0.821 . . . . 0.0 109.564 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.968 HD23 ' HB2' ' B' ' 347' ' ' ALA . 66.0 mt -53.71 -48.36 69.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.114 -0.991 . . . . 0.0 109.134 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -60.71 -34.55 74.56 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 1.054 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -61.87 -30.44 70.86 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.521 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 23.1 ttpt -63.68 -40.05 95.85 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.44 -37.44 83.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.341 -0.849 . . . . 0.0 109.223 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.918 . . . . 0.0 109.24 179.735 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -103.03 120.6 40.95 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.897 . . . . 0.0 109.492 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 46.6 m-85 -108.58 139.52 43.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.335 -0.853 . . . . 0.0 109.519 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.79 HG22 HG22 ' C' ' 329' ' ' THR . 0.1 OUTLIER -97.66 133.22 42.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.217 -0.927 . . . . 0.0 109.618 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.733 HD21 ' ND2' ' C' ' 345' ' ' ASN . 0.3 OUTLIER -117.79 87.03 2.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.341 -0.849 . . . . 0.0 109.032 179.611 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 12.8 tt0 -82.02 109.18 16.12 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.308 -0.87 . . . . 0.0 109.831 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -106.84 134.65 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -84.58 129.01 34.89 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.875 . . . . 0.0 109.538 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 136.96 -126.57 3.75 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 3.6 ttt180 177.09 -42.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.408 -1.054 . . . . 0.0 109.101 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -77.34 -36.7 53.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.233 -0.917 . . . . 0.0 109.165 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.547 ' CD ' HD13 ' C' ' 348' ' ' LEU . 26.0 mtm-85 -70.49 -33.38 71.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 108.924 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.446 ' CD1' HD12 ' C' ' 330' ' ' LEU . 80.9 t80 -66.35 -31.75 72.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.218 -0.926 . . . . 0.0 108.623 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 18.2 mt-10 -75.94 -37.12 59.03 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.511 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.9 mtp -54.8 -52.24 63.28 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.714 ' HE1' HD11 ' B' ' 344' ' ' LEU . 11.1 m-30 -65.87 -43.94 86.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.459 -0.776 . . . . 0.0 108.985 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -43.95 -31.95 1.01 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.528 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 4.0 tt0 -77.34 -43.38 33.17 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -57.98 -64.01 1.06 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.313 -0.867 . . . . 0.0 108.749 179.488 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.716 ' ND2' HD21 ' C' ' 330' ' ' LEU . 26.1 p-10 -58.5 -16.15 14.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 109.529 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 0.2 OUTLIER -68.03 -46.29 71.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.925 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 1.01 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.8 -46.43 58.25 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.265 -0.897 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.871 HD23 ' HB2' ' A' ' 347' ' ' ALA . 66.7 mt -52.58 -48.5 66.17 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.118 -0.989 . . . . 0.0 109.166 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -60.8 -34.6 74.76 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 1.107 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -61.47 -30.83 70.85 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.368 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 22.8 ttpt -63.72 -40.19 96.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.339 -0.851 . . . . 0.0 108.77 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.51 -37.29 83.17 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.333 -0.854 . . . . 0.0 109.075 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.211 -0.931 . . . . 0.0 109.227 179.694 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.32 0.581 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -99.37 114.6 27.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.608 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.613 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 84.2 m-85 -110.15 165.19 11.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.072 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.085 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -127.72 132.01 49.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.164 -0.96 . . . . 0.0 109.792 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.1 OUTLIER -112.41 94.41 4.91 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 6.1 tt0 -88.94 116.23 27.07 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.273 -0.892 . . . . 0.0 108.999 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.18 120.38 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.372 -0.83 . . . . 0.0 109.935 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -81.07 90.76 6.02 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 178.68 -151.9 10.85 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -154.55 -46.14 0.09 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.222 -1.164 . . . . 0.0 109.016 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.53 -48.67 31.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.249 -0.907 . . . . 0.0 109.188 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -61.89 -45.4 93.92 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.238 -0.914 . . . . 0.0 108.864 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 44.7 t80 -58.85 -36.57 74.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.281 -0.887 . . . . 0.0 108.948 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.18 -34.4 76.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.053 -1.03 . . . . 0.0 108.86 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.451 ' O ' HD23 ' A' ' 344' ' ' LEU . 3.6 mtm -59.7 -40.82 89.2 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.903 0.858 . . . . 0.0 109.145 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.666 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.7 m-30 -75.98 -30.78 58.71 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.889 0.852 . . . . 0.0 109.366 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 0.0 OUTLIER -59.83 -40.46 88.56 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 346' ' ' GLU . 28.3 tt0 -76.56 -50.9 12.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.155 -0.966 . . . . 0.0 109.464 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.846 HD12 HD12 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -48.6 -60.35 2.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.36 -0.838 . . . . 0.0 109.399 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.52 ' HB3' ' CE2' ' B' ' 341' ' ' PHE . 43.9 p-10 -66.86 -19.29 65.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.848 . . . . 0.0 110.061 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' A' ' 345' ' ' ASN . 2.4 tt0 -65.83 -51.7 56.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.886 -1.134 . . . . 0.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.597 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -67.15 -38.01 84.77 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.268 -0.895 . . . . 0.0 109.525 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.841 HD23 ' HB2' ' D' ' 347' ' ' ALA . 92.5 mt -56.57 -49.22 75.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.161 -0.962 . . . . 0.0 108.864 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -64.85 -24.89 67.68 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 1.0 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -70.77 -26.09 63.19 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.268 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.628 ' CA ' HD21 ' D' ' 350' ' ' LEU . 27.9 ttmt -69.06 -45.75 69.56 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.83 -33.1 71.32 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.361 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 109.813 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.343 0.592 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -98.2 115.35 28.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.419 -0.8 . . . . 0.0 109.7 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 83.6 m-85 -111.71 162.89 14.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.873 . . . . 0.0 109.263 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.085 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -124.51 139.05 54.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.269 -0.894 . . . . 0.0 109.478 179.724 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -118.75 84.13 2.13 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.7 tt0 -79.52 117.24 20.28 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.292 -0.88 . . . . 0.0 109.908 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.55 122.34 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.352 -0.843 . . . . 0.0 109.155 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -83.6 88.17 7.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.348 -0.845 . . . . 0.0 109.079 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.95 -149.81 8.48 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -155.18 -46.34 0.08 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.341 -1.094 . . . . 0.0 109.129 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' B' ' 336' ' ' GLU . 5.9 mm-40 -72.73 -48.48 38.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.152 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -62.27 -46.79 87.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.214 -0.929 . . . . 0.0 109.1 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 45.3 t80 -57.38 -37.29 72.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.245 -0.909 . . . . 0.0 109.002 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -35.94 80.01 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.222 -0.924 . . . . 0.0 108.825 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.471 ' O ' HD23 ' B' ' 344' ' ' LEU . 4.9 mtm -59.37 -41.67 89.84 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.662 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.9 m-30 -75.6 -26.7 58.07 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.55 -0.719 . . . . 0.0 109.09 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.0 OUTLIER -64.23 -37.52 87.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.297 -0.877 . . . . 0.0 109.092 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' B' ' 346' ' ' GLU . 28.9 tt0 -79.04 -50.14 11.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 109.208 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.828 HD12 HD12 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -49.36 -59.13 3.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 0.0 109.224 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' B' ' 346' ' ' GLU . 42.5 p-10 -67.93 -17.88 64.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.418 -0.801 . . . . 0.0 110.006 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' B' ' 345' ' ' ASN . 2.4 tt0 -67.89 -52.21 39.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.962 -1.086 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.663 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -66.44 -37.75 85.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.199 -0.938 . . . . 0.0 109.34 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.794 HD23 ' HB2' ' C' ' 347' ' ' ALA . 88.5 mt -57.06 -49.55 75.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.161 -0.962 . . . . 0.0 109.125 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.33 -27.53 69.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.254 -0.904 . . . . 0.0 108.649 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.986 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.26 -27.41 67.19 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.292 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.651 ' CA ' HD21 ' C' ' 350' ' ' LEU . 27.9 ttmt -68.84 -44.78 72.69 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.71 -31.62 70.9 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.517 -0.739 . . . . 0.0 109.389 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 0.0 109.516 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.329 0.585 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.429 ' OH ' ' HD2' ' D' ' 333' ' ' ARG . 14.7 m-85 -98.34 115.68 28.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.919 . . . . 0.0 109.65 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 82.3 m-85 -111.22 164.49 12.82 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.944 . . . . 0.0 109.175 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 1.082 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -126.6 134.67 50.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.129 -0.982 . . . . 0.0 109.787 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.538 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.95 86.36 2.43 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.578 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 4.8 tt0 -81.48 117.55 21.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.878 . . . . 0.0 109.57 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.28 120.65 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.446 ' HD2' ' OH ' ' D' ' 327' ' ' TYR . 3.9 ttt-85 -81.44 89.37 6.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.259 -0.901 . . . . 0.0 109.341 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.29 -151.25 10.02 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -153.89 -46.52 0.09 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -1.139 . . . . 0.0 109.162 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.25 -48.77 40.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.223 -0.923 . . . . 0.0 109.134 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -62.16 -46.27 89.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.401 -0.812 . . . . 0.0 109.088 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.607 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 44.9 t80 -57.77 -37.81 74.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.284 -0.885 . . . . 0.0 108.978 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 0.7 OUTLIER -66.95 -35.85 80.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.336 -0.852 . . . . 0.0 108.769 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.5 mtm -59.3 -41.62 89.41 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.639 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.8 m-30 -75.55 -26.78 58.27 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.58 -0.7 . . . . 0.0 109.158 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.0 OUTLIER -63.92 -38.13 89.95 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.312 -0.867 . . . . 0.0 109.127 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' C' ' 346' ' ' GLU . 28.1 tt0 -78.3 -50.56 11.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.296 -0.877 . . . . 0.0 109.247 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.828 HD12 HD12 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -48.75 -59.31 3.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.261 -0.899 . . . . 0.0 109.374 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.578 ' HB3' ' CE2' ' D' ' 341' ' ' PHE . 45.7 p-10 -68.52 -17.58 64.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.249 -0.907 . . . . 0.0 110.201 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' C' ' 345' ' ' ASN . 2.5 tt0 -68.02 -51.29 48.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.003 -1.06 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.794 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -67.1 -36.11 81.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.325 -0.859 . . . . 0.0 109.386 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' B' ' 347' ' ' ALA . 88.1 mt -59.04 -49.55 77.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.922 . . . . 0.0 109.145 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.96 -27.65 69.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.274 -0.891 . . . . 0.0 108.755 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.986 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -67.27 -27.4 67.16 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.693 ' CA ' HD21 ' B' ' 350' ' ' LEU . 27.4 ttmt -69.02 -43.9 73.82 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.443 -0.785 . . . . 0.0 108.899 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.5 -31.29 71.28 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.446 -0.784 . . . . 0.0 109.38 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.473 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.267 0.556 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.446 ' OH ' ' HD2' ' C' ' 333' ' ' ARG . 14.7 m-85 -98.13 115.55 28.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 109.593 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.607 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 82.4 m-85 -111.19 164.36 12.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.29 -0.881 . . . . 0.0 109.141 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 1.082 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -126.53 134.68 50.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.191 -0.943 . . . . 0.0 109.706 -179.773 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.526 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.97 86.06 2.38 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.7 tt0 -81.11 117.48 21.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.707 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.08 120.7 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.351 -0.843 . . . . 0.0 109.554 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.429 ' HD2' ' OH ' ' C' ' 327' ' ' TYR . 4.1 ttt-85 -81.69 89.65 6.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.238 -0.914 . . . . 0.0 109.37 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.12 -151.12 9.95 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -153.75 -46.89 0.09 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.324 -1.104 . . . . 0.0 109.12 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.13 -48.86 40.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 0.0 109.11 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -62.02 -46.34 89.63 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.235 -0.915 . . . . 0.0 109.136 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 45.0 t80 -57.65 -37.62 73.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.262 -0.899 . . . . 0.0 108.972 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -35.63 80.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.24 -0.913 . . . . 0.0 108.83 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.7 mtm -59.65 -41.63 90.98 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.655 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.8 m-30 -75.47 -26.82 58.52 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.0 OUTLIER -63.97 -38.0 89.49 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.303 -0.873 . . . . 0.0 109.179 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' D' ' 346' ' ' GLU . 28.5 tt0 -78.46 -50.27 11.95 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.404 -0.81 . . . . 0.0 109.234 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.846 HD12 HD12 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -49.06 -59.51 3.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 0.0 109.298 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.58 ' HB3' ' CE2' ' C' ' 341' ' ' PHE . 45.6 p-10 -68.17 -17.41 64.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.222 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.51 ' N ' ' OD1' ' D' ' 345' ' ' ASN . 2.4 tt0 -67.81 -51.76 44.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.954 -1.091 . . . . 0.0 109.268 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.841 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -66.74 -37.4 84.57 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.296 -0.877 . . . . 0.0 109.353 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.644 HD11 HD13 ' A' ' 344' ' ' LEU . 88.4 mt -57.69 -49.6 75.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.191 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.02 -28.04 69.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.262 -0.899 . . . . 0.0 108.639 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 1.0 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -66.94 -27.47 67.5 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.692 ' CA ' HD21 ' A' ' 350' ' ' LEU . 27.2 ttmt -69.26 -43.83 73.13 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.434 -0.791 . . . . 0.0 108.888 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.52 -31.17 71.17 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.564 -0.71 . . . . 0.0 109.199 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.366 -0.834 . . . . 0.0 109.453 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.341 0.591 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -99.55 118.0 35.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.269 -0.894 . . . . 0.0 109.56 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.603 ' HB3' ' CD1' ' B' ' 338' ' ' PHE . 84.0 m-85 -112.72 160.92 17.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.151 -0.968 . . . . 0.0 109.194 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.104 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -137.36 132.62 33.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.186 -0.946 . . . . 0.0 110.151 -178.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.859 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -108.97 96.99 6.7 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.176 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.776 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.7 OUTLIER -88.17 108.82 19.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.137 -0.977 . . . . 0.0 108.459 -179.581 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.572 HD11 HD23 ' A' ' 330' ' ' LEU . 2.9 mt -113.77 115.56 50.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.495 -0.753 . . . . 0.0 109.677 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -79.44 99.17 7.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.966 . . . . 0.0 108.674 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 176.08 -128.23 1.34 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 19.9 ttt180 179.74 -54.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.409 -1.054 . . . . 0.0 109.128 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 26.0 pt-20 -70.81 -45.84 63.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.231 -0.918 . . . . 0.0 109.232 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.895 ' HD3' HD22 ' B' ' 348' ' ' LEU . 8.0 mtm105 -64.04 -44.21 93.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.248 -0.908 . . . . 0.0 108.756 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.892 ' CE1' HD12 ' B' ' 330' ' ' LEU . 61.1 t80 -59.04 -32.36 69.68 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 342' ' ' ARG . 1.5 mt-10 -67.18 -43.0 83.27 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.167 -0.958 . . . . 0.0 108.545 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.42 ' SD ' ' OE2' ' C' ' 343' ' ' GLU . 4.0 mtp -48.79 -50.09 35.74 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.069 0.938 . . . . 0.0 108.819 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -65.42 -35.07 79.84 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.854 0.835 . . . . 0.0 109.173 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -56.45 -31.73 64.25 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.517 ' HG2' ' HE1' ' C' ' 340' ' ' MET . 0.9 OUTLIER -73.98 -60.96 2.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.753 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.516 ' HG ' ' HG ' ' D' ' 344' ' ' LEU . 1.5 mm? -54.85 -61.89 2.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.014 -1.054 . . . . 0.0 108.492 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.489 ' ND2' HD23 ' B' ' 330' ' ' LEU . 11.1 t-20 -44.38 -31.65 1.12 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.641 -0.662 . . . . 0.0 109.268 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 343' ' ' GLU . 0.9 OUTLIER -69.48 -49.14 57.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.226 -0.921 . . . . 0.0 110.175 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.483 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -61.52 -39.93 92.82 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.112 -0.992 . . . . 0.0 109.695 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.836 HD22 ' HD3' ' B' ' 337' ' ' ARG . 60.7 mt -60.03 -51.41 69.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -59.05 -25.74 63.99 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 1.034 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -74.43 -31.87 62.44 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 120.967 -1.083 . . . . 0.0 108.36 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.599 ' CA ' HD21 ' D' ' 350' ' ' LEU . 7.7 ttmt -60.07 -38.39 82.73 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -30.39 65.83 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.462 -0.774 . . . . 0.0 109.763 179.891 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.407 0.623 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -97.86 118.93 35.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.389 -0.819 . . . . 0.0 109.551 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.576 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 83.4 m-85 -114.58 158.9 21.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -0.897 . . . . 0.0 109.312 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.104 HG22 HG22 ' A' ' 329' ' ' THR . 0.3 OUTLIER -134.82 138.13 43.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 109.991 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.892 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -113.87 89.55 3.12 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.016 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.704 ' HG2' HG23 ' A' ' 329' ' ' THR . 0.9 OUTLIER -80.91 106.95 13.31 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.278 -0.889 . . . . 0.0 109.668 -179.378 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.464 HD11 HD23 ' B' ' 330' ' ' LEU . 2.8 mp -111.47 118.3 57.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.391 -0.818 . . . . 0.0 109.095 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -83.03 96.6 8.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 108.86 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 177.75 -127.39 1.18 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 21.1 ttt180 -179.72 -54.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.322 -1.105 . . . . 0.0 109.204 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 26.0 pt-20 -69.77 -45.53 67.82 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.253 -0.904 . . . . 0.0 109.203 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.836 ' HD3' HD22 ' A' ' 348' ' ' LEU . 8.0 mtm105 -64.6 -44.97 88.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.279 -0.888 . . . . 0.0 109.047 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.859 ' CE1' HD12 ' A' ' 330' ' ' LEU . 61.1 t80 -58.22 -32.37 68.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.199 -0.938 . . . . 0.0 108.634 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 342' ' ' ARG . 1.4 mt-10 -67.23 -44.26 79.94 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.526 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 4.4 mtp -48.87 -50.39 35.03 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -65.35 -31.92 73.29 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -60.59 -27.76 67.97 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.514 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.516 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 0.8 OUTLIER -76.12 -63.42 1.32 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.446 -0.784 . . . . 0.0 109.074 179.583 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.581 ' H ' HD22 ' B' ' 344' ' ' LEU . 1.7 mm? -51.95 -65.58 0.53 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.085 -1.009 . . . . 0.0 108.287 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.592 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 8.8 t-20 -40.65 -31.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.596 -0.69 . . . . 0.0 109.615 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 0.9 OUTLIER -71.42 -49.07 45.42 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.34 -0.85 . . . . 0.0 109.803 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.506 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -61.16 -39.32 89.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.146 -0.971 . . . . 0.0 109.611 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.895 HD22 ' HD3' ' A' ' 337' ' ' ARG . 55.9 mt -61.81 -50.75 71.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.894 . . . . 0.0 108.67 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.23 -27.18 65.51 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 1.017 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -72.29 -34.49 68.21 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.624 ' CA ' HD21 ' C' ' 350' ' ' LEU . 7.7 ttmt -58.17 -38.12 76.05 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -28.9 63.71 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.452 -0.78 . . . . 0.0 109.493 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.308 0.575 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -99.5 119.26 37.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.595 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 82.2 m-85 -114.16 159.9 19.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.18 -0.95 . . . . 0.0 109.171 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 1.064 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -136.24 135.49 39.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.098 -1.001 . . . . 0.0 110.171 -179.226 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.917 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -111.67 90.29 3.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.326 -0.859 . . . . 0.0 108.903 179.142 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.689 ' HG2' HG23 ' D' ' 329' ' ' THR . 0.9 OUTLIER -81.35 107.59 14.26 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.242 -0.911 . . . . 0.0 109.599 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.503 HD11 HD23 ' C' ' 330' ' ' LEU . 2.8 mp -112.58 116.76 53.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.432 -0.792 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -80.92 97.33 7.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.169 -0.957 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.42 -128.15 1.32 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -178.67 -53.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.22 -1.165 . . . . 0.0 109.284 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' C' ' 337' ' ' ARG . 26.1 pt-20 -70.23 -45.67 66.04 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 109.159 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.826 ' HD3' HD22 ' D' ' 348' ' ' LEU . 7.8 mtm105 -64.47 -44.64 90.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.202 -0.936 . . . . 0.0 108.912 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.93 ' CE1' HD12 ' D' ' 330' ' ' LEU . 60.9 t80 -58.61 -32.54 69.09 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' C' ' 342' ' ' ARG . 1.4 mt-10 -67.07 -43.73 81.89 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.517 ' HE1' ' HG2' ' A' ' 343' ' ' GLU . 4.4 mtp -49.28 -49.9 41.5 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -65.62 -31.73 72.91 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -60.49 -27.11 67.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.176 -0.953 . . . . 0.0 108.504 179.053 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.7 OUTLIER -77.17 -63.35 1.39 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.383 -0.823 . . . . 0.0 109.009 179.378 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.523 ' H ' HD22 ' C' ' 344' ' ' LEU . 1.4 mm? -51.92 -65.47 0.55 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.54 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 10.2 t-20 -41.49 -29.89 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.529 -0.732 . . . . 0.0 109.755 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' C' ' 343' ' ' GLU . 0.9 OUTLIER -72.88 -48.22 39.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 109.912 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.511 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -62.33 -35.7 79.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.0 109.475 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.808 HD22 ' HD3' ' D' ' 337' ' ' ARG . 58.9 mt -65.03 -50.48 66.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.118 -0.989 . . . . 0.0 108.697 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.28 -27.41 65.81 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 1.017 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -71.94 -34.24 68.88 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.352 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.646 ' CA ' HD21 ' B' ' 350' ' ' LEU . 7.7 ttmt -58.42 -37.56 75.61 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -28.62 62.76 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 O-C-N 121.5 -0.75 . . . . 0.0 109.388 179.86 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.323 0.582 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -99.39 118.71 36.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.424 -0.798 . . . . 0.0 109.49 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 83.7 m-85 -113.7 159.66 19.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.905 . . . . 0.0 109.248 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 1.064 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -136.24 135.53 39.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.028 -1.045 . . . . 0.0 110.102 -179.23 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.93 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -111.76 90.18 3.27 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.351 -0.843 . . . . 0.0 108.885 179.155 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.713 ' HG2' HG23 ' C' ' 329' ' ' THR . 0.9 OUTLIER -81.23 107.76 14.29 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.258 -0.901 . . . . 0.0 109.533 -179.612 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.511 HD11 HD23 ' D' ' 330' ' ' LEU . 2.8 mp -112.58 116.9 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.344 -0.847 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -81.22 97.72 7.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.169 -0.957 . . . . 0.0 109.524 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.16 -127.99 1.31 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -178.6 -53.84 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.177 -1.19 . . . . 0.0 109.239 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 26.1 pt-20 -70.03 -45.61 66.82 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.896 . . . . 0.0 109.184 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.808 ' HD3' HD22 ' C' ' 348' ' ' LEU . 7.8 mtm105 -64.83 -44.28 90.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.88 . . . . 0.0 108.967 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.917 ' CE1' HD12 ' C' ' 330' ' ' LEU . 60.5 t80 -58.85 -32.2 69.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.139 -0.976 . . . . 0.0 108.672 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' D' ' 342' ' ' ARG . 1.4 mt-10 -67.23 -43.46 81.92 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.516 ' HE1' ' HG2' ' B' ' 343' ' ' GLU . 4.4 mtp -49.53 -49.91 44.07 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -65.8 -31.12 71.91 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -61.17 -26.77 67.94 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.526 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 0.8 OUTLIER -77.39 -63.13 1.44 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.422 -0.799 . . . . 0.0 109.044 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.516 ' HG ' ' HG ' ' A' ' 344' ' ' LEU . 1.4 mm? -52.41 -65.05 0.63 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.083 -1.011 . . . . 0.0 108.326 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.534 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 10.5 t-20 -41.68 -29.74 0.2 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.524 -0.735 . . . . 0.0 109.683 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' D' ' 343' ' ' GLU . 0.9 OUTLIER -72.56 -48.54 39.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 109.775 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.518 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -61.27 -38.75 87.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.183 -0.948 . . . . 0.0 109.46 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.826 HD22 ' HD3' ' C' ' 337' ' ' ARG . 56.7 mt -62.4 -50.55 71.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.159 -0.963 . . . . 0.0 108.779 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.48 -27.39 66.08 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 1.034 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -71.96 -34.56 69.07 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.359 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.668 ' CA ' HD21 ' A' ' 350' ' ' LEU . 7.7 ttmt -58.23 -38.03 76.04 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -28.66 63.33 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.433 -0.792 . . . . 0.0 109.441 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.601 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 5.7 m-85 -103.28 109.11 20.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.0 109.372 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.554 ' HB3' ' CD1' ' B' ' 338' ' ' PHE . 27.1 m-85 -102.38 163.1 12.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.153 -0.967 . . . . 0.0 108.888 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.132 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -127.25 137.73 52.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.703 -179.723 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.604 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.2 OUTLIER -117.97 97.37 5.78 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 178.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.633 ' HG2' HG23 ' B' ' 329' ' ' THR . 52.8 mt-30 -87.89 109.43 19.77 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.408 -0.917 . . . . 0.0 108.572 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -101.85 118.03 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.437 -0.789 . . . . 0.0 109.61 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 5.3 mtm180 -78.29 91.47 4.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 108.814 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.75 -143.73 8.54 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -159.49 -57.3 0.06 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.253 -1.145 . . . . 0.0 108.786 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.36 -48.32 79.33 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.283 -0.886 . . . . 0.0 108.868 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.737 ' HD3' HD22 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -59.25 -39.24 82.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 0.0 108.894 179.472 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.566 ' CE1' HD12 ' B' ' 330' ' ' LEU . 88.7 t80 -60.37 -36.15 77.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.917 . . . . 0.0 109.109 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.11 -37.4 72.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.157 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.574 ' HE3' HD21 ' C' ' 344' ' ' LEU . 2.0 mtp -57.61 -47.22 82.78 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 122.002 0.906 . . . . 0.0 109.302 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.543 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.3 m-30 -70.21 -33.82 72.14 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 121.745 0.783 . . . . 0.0 109.079 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -35.67 63.66 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.463 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 19.0 tp10 -72.9 -60.88 2.02 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.403 -0.811 . . . . 0.0 109.791 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' D' ' 348' ' ' LEU . 0.9 OUTLIER -52.06 -62.8 1.41 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.691 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.518 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 9.4 t-20 -44.77 -33.48 1.91 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.635 -0.666 . . . . 0.0 109.977 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.73 -48.35 64.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.969 . . . . 0.0 110.214 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -61.67 -46.11 91.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.053 -1.029 . . . . 0.0 109.841 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.673 HD22 ' HD3' ' B' ' 337' ' ' ARG . 29.9 mt -54.66 -54.3 43.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.183 -0.948 . . . . 0.0 109.055 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -25.32 64.59 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.192 -0.943 . . . . 0.0 108.901 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.946 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -73.94 -30.55 62.61 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.026 -1.046 . . . . 0.0 108.457 179.605 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.637 ' CA ' HD21 ' D' ' 350' ' ' LEU . 7.8 tttt -62.41 -39.58 93.73 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.46 -27.61 62.41 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.248 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.244 -0.91 . . . . 0.0 109.864 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.288 0.566 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.586 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 6.0 m-85 -104.21 107.43 18.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.361 -0.837 . . . . 0.0 109.603 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.537 ' HB3' ' CD1' ' A' ' 338' ' ' PHE . 27.5 m-85 -101.85 161.05 13.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -0.91 . . . . 0.0 109.292 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.132 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -124.7 144.12 50.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.31 -0.869 . . . . 0.0 109.499 179.661 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.604 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -123.89 89.67 3.13 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.529 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 53.4 mt-30 -80.31 108.36 13.86 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.443 -0.903 . . . . 0.0 109.846 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -100.57 119.32 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.372 -0.83 . . . . 0.0 109.178 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.601 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 5.3 mtm180 -80.01 89.3 5.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.329 -0.857 . . . . 0.0 109.079 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.47 -141.87 7.06 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -160.02 -57.51 0.06 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.331 -1.099 . . . . 0.0 108.889 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.93 -48.06 79.18 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.327 -0.858 . . . . 0.0 108.836 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.673 ' HD3' HD22 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -59.53 -40.48 87.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -0.873 . . . . 0.0 109.153 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 330' ' ' LEU . 88.4 t80 -59.19 -36.11 74.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.269 -0.895 . . . . 0.0 109.088 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.32 -38.06 71.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.339 -0.851 . . . . 0.0 108.92 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.56 ' HE3' HD21 ' D' ' 344' ' ' LEU . 2.0 mtp -57.76 -47.06 83.59 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.528 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.6 m-30 -70.88 -30.95 67.47 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.506 -0.746 . . . . 0.0 109.008 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -33.35 68.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.09 -1.006 . . . . 0.0 108.437 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 19.4 tp10 -73.23 -64.76 0.91 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.482 -0.761 . . . . 0.0 109.132 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.635 HD11 HD11 ' C' ' 348' ' ' LEU . 1.2 mm? -47.71 -68.13 0.21 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.085 -1.009 . . . . 0.0 108.382 179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 7.6 t-20 -39.42 -34.79 0.23 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.636 -0.665 . . . . 0.0 110.135 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' B' ' 343' ' ' GLU . 7.6 tp10 -69.03 -48.71 62.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.217 -0.927 . . . . 0.0 110.164 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.547 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -61.29 -45.02 96.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.085 -1.009 . . . . 0.0 109.72 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.737 HD22 ' HD3' ' A' ' 337' ' ' ARG . 29.6 mt -56.4 -54.71 42.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.271 -0.893 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.18 -26.84 65.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.246 -0.909 . . . . 0.0 109.151 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.941 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -71.55 -32.69 68.41 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.648 ' CA ' HD21 ' C' ' 350' ' ' LEU . 8.0 tttt -60.69 -39.36 88.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.336 -0.853 . . . . 0.0 108.82 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -25.65 60.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.501 -0.75 . . . . 0.0 109.23 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.0 109.579 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.308 0.575 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.601 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 5.8 m-85 -104.9 107.67 18.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 109.602 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.563 ' HB3' ' CD1' ' D' ' 338' ' ' PHE . 27.7 m-85 -101.66 161.23 13.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.162 -0.961 . . . . 0.0 109.228 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 1.005 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -125.45 140.83 52.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.21 -0.931 . . . . 0.0 109.78 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -121.46 89.66 3.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.372 -0.83 . . . . 0.0 109.028 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.529 ' HG2' HG23 ' D' ' 329' ' ' THR . 51.0 mt-30 -80.13 109.0 14.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.176 -0.953 . . . . 0.0 109.587 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.4 118.78 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.32 -0.863 . . . . 0.0 109.34 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.602 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 5.3 mtm180 -78.7 90.54 4.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.228 -0.92 . . . . 0.0 109.403 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.42 -142.59 7.74 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -158.83 -57.24 0.07 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.268 -1.136 . . . . 0.0 109.041 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.06 -48.13 79.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 0.0 108.886 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.705 ' HD3' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.69 -39.57 84.99 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.274 -0.891 . . . . 0.0 109.019 179.513 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.609 ' CE1' HD12 ' D' ' 330' ' ' LEU . 88.4 t80 -59.69 -36.76 77.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.913 . . . . 0.0 109.105 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.92 -37.97 72.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 0.0 108.978 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.531 ' HE3' HD21 ' A' ' 344' ' ' LEU . 2.1 mtp -57.6 -46.85 83.54 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.832 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.555 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.5 m-30 -71.0 -31.27 67.75 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.461 -0.774 . . . . 0.0 109.062 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -33.19 67.07 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.096 -1.002 . . . . 0.0 108.574 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.461 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 19.0 tp10 -73.85 -64.46 1.0 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.338 -0.851 . . . . 0.0 109.052 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.577 ' CD1' HD11 ' B' ' 348' ' ' LEU . 0.8 OUTLIER -47.9 -68.04 0.22 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.077 -1.015 . . . . 0.0 108.4 179.505 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.549 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 8.8 t-20 -40.11 -34.17 0.28 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.635 -0.666 . . . . 0.0 110.267 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' C' ' 343' ' ' GLU . 7.3 tp10 -69.84 -48.53 58.57 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.161 -0.962 . . . . 0.0 110.219 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.553 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -61.54 -42.17 98.43 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.142 -0.974 . . . . 0.0 109.566 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.719 HD22 ' HD3' ' D' ' 337' ' ' ARG . 29.4 mt -59.2 -54.56 45.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.111 -0.993 . . . . 0.0 109.393 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.02 -26.56 64.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.241 -0.912 . . . . 0.0 109.252 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.941 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -71.7 -32.88 68.3 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.398 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.678 ' CA ' HD21 ' B' ' 350' ' ' LEU . 7.8 tttt -60.48 -39.11 86.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.377 -0.827 . . . . 0.0 108.892 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -25.67 60.55 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.45 -0.781 . . . . 0.0 109.282 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.344 -0.847 . . . . 0.0 109.582 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.602 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 5.6 m-85 -104.8 107.53 18.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.252 -0.905 . . . . 0.0 109.556 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.593 ' HB3' ' CD1' ' C' ' 338' ' ' PHE . 27.8 m-85 -101.46 161.11 13.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.202 -0.936 . . . . 0.0 109.282 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 1.005 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -125.25 140.99 52.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.244 -0.91 . . . . 0.0 109.718 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.609 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.2 OUTLIER -121.6 89.82 3.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.362 -0.837 . . . . 0.0 108.94 179.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.538 ' HG2' HG23 ' C' ' 329' ' ' THR . 51.2 mt-30 -80.24 108.94 14.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -0.916 . . . . 0.0 109.742 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.12 118.89 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.91 . . . . 0.0 109.368 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.601 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 5.3 mtm180 -79.0 90.76 4.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.227 -0.921 . . . . 0.0 109.444 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.16 -142.78 7.89 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -158.51 -57.25 0.07 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -1.133 . . . . 0.0 108.982 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.95 -48.46 78.28 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.215 -0.928 . . . . 0.0 108.957 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.719 ' HD3' HD22 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.34 -39.5 83.39 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 0.0 109.074 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.627 ' CE1' HD12 ' C' ' 330' ' ' LEU . 88.0 t80 -59.67 -37.02 77.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 109.142 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.8 -37.86 73.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.317 -0.864 . . . . 0.0 108.916 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.615 ' HE3' HD21 ' B' ' 344' ' ' LEU . 2.1 mtp -57.6 -47.1 83.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.39 -0.819 . . . . 0.0 108.834 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.534 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.5 m-30 -70.86 -30.54 66.97 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.483 -0.761 . . . . 0.0 109.099 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -32.89 68.31 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.093 -1.005 . . . . 0.0 108.572 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 19.5 tp10 -73.65 -64.41 1.0 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.413 -0.804 . . . . 0.0 109.124 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.601 ' CD1' HD11 ' A' ' 348' ' ' LEU . 0.9 OUTLIER -48.37 -67.53 0.26 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.025 -1.047 . . . . 0.0 108.512 179.486 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.54 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 8.7 t-20 -40.43 -33.6 0.27 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.607 -0.683 . . . . 0.0 110.162 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' D' ' 343' ' ' GLU . 7.6 tp10 -69.85 -48.76 57.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.191 -0.943 . . . . 0.0 110.128 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.542 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -60.67 -44.85 95.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.119 -0.988 . . . . 0.0 109.523 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.705 HD22 ' HD3' ' C' ' 337' ' ' ARG . 29.6 mt -56.93 -55.03 39.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.98 -26.95 64.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.207 -0.933 . . . . 0.0 109.223 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.946 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -71.44 -32.84 68.81 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.402 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.667 ' CA ' HD21 ' A' ' 350' ' ' LEU . 8.0 tttt -60.71 -39.08 87.23 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.357 -0.839 . . . . 0.0 108.962 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -25.25 60.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.387 -0.821 . . . . 0.0 109.17 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.346 -0.846 . . . . 0.0 109.631 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . 0.449 ' HB2' ' CE2' ' A' ' 328' ' ' PHE . 1.4 mm-40 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' OE1' ' B' ' 331' ' ' GLN . 9.2 m-85 -99.91 115.04 28.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.185 -0.947 . . . . 0.0 109.563 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' A' ' 326' ' ' GLU . 99.0 m-85 -115.24 152.57 32.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.266 -0.896 . . . . 0.0 109.258 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.923 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -117.79 124.56 48.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.138 -0.976 . . . . 0.0 109.597 -179.707 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.497 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.3 OUTLIER -104.46 93.96 5.07 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 6.7 tt0 -88.6 116.27 26.72 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.001 -1.062 . . . . 0.0 109.084 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -118.92 129.46 75.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.385 -0.822 . . . . 0.0 109.767 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.9 ttp-105 -88.13 94.79 9.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.36 -0.837 . . . . 0.0 108.981 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.53 -138.66 3.38 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -168.98 -48.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.37 -1.076 . . . . 0.0 108.986 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.61 -41.47 45.9 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.228 -0.92 . . . . 0.0 109.168 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.811 ' HD2' HD13 ' B' ' 348' ' ' LEU . 4.4 mtm-85 -66.74 -40.33 88.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 0.0 108.906 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.483 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 90.1 t80 -62.01 -38.79 89.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.313 -0.867 . . . . 0.0 109.05 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.81 -44.27 86.15 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.158 -0.964 . . . . 0.0 109.048 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.1 mtp -51.56 -53.0 42.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 109.586 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' B' ' 344' ' ' LEU . 11.7 m-85 -62.4 -33.67 75.22 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.829 0.823 . . . . 0.0 109.27 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -34.05 72.78 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.96 -52.66 16.05 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.153 -0.967 . . . . 0.0 109.507 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.626 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.7 mm? -52.62 -48.37 66.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.15 -0.969 . . . . 0.0 109.243 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.541 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 3.4 m-20 -65.5 -25.73 67.6 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.382 -0.824 . . . . 0.0 109.639 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.45 -45.59 79.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.856 . . . . 0.0 109.653 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.892 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -69.72 -43.61 72.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 0.0 109.603 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.77 HD13 ' HD2' ' B' ' 337' ' ' ARG . 87.9 mt -55.21 -52.3 63.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.201 -0.937 . . . . 0.0 109.0 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.45 -28.35 69.21 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.295 -0.878 . . . . 0.0 108.819 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.998 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -69.76 -27.73 65.18 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 121.048 -1.032 . . . . 0.0 108.255 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.529 ' CG ' HD22 ' D' ' 350' ' ' LEU . 11.7 tttm -67.94 -39.8 83.4 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.24 -44.27 95.36 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.422 -0.799 . . . . 0.0 109.235 179.544 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.462 ' HB2' ' CE2' ' B' ' 328' ' ' PHE . 1.5 mm-40 . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.272 0.558 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -99.8 115.77 30.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.395 -0.816 . . . . 0.0 109.488 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' B' ' 326' ' ' GLU . 99.1 m-85 -116.41 151.9 35.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.483 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.923 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -116.19 131.1 57.04 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.219 -0.925 . . . . 0.0 109.163 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.483 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.3 OUTLIER -110.99 82.28 1.57 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -0.817 . . . . 0.0 108.855 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 7.8 tt0 -77.93 117.82 19.64 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.253 -0.904 . . . . 0.0 110.015 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.22 131.12 73.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.379 -0.826 . . . . 0.0 109.015 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' B' ' 333' ' ' ARG . 27.9 ttp-105 -90.43 92.3 8.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.301 -0.875 . . . . 0.0 109.205 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.93 -137.94 2.93 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.336 -1.505 . . . . 0.0 109.336 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -168.96 -48.03 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -1.089 . . . . 0.0 109.141 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -76.1 -41.06 51.5 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.348 -0.845 . . . . 0.0 109.19 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.77 ' HD2' HD13 ' A' ' 348' ' ' LEU . 3.4 mtt-85 -66.78 -42.09 86.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.234 -0.916 . . . . 0.0 109.227 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 90.9 t80 -60.58 -39.61 88.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.229 -0.919 . . . . 0.0 109.25 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.9 -46.64 80.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.159 -0.963 . . . . 0.0 108.948 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.9 mtp -50.58 -54.75 20.17 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.443 -0.785 . . . . 0.0 108.899 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.541 ' CE2' ' ND2' ' A' ' 345' ' ' ASN . 15.5 m-85 -61.29 -29.77 70.07 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -0.809 . . . . 0.0 109.209 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -33.36 75.59 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.23 -0.919 . . . . 0.0 109.048 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.16 -53.29 15.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.295 -0.878 . . . . 0.0 109.568 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.694 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.8 mm? -52.47 -49.53 64.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.116 -0.99 . . . . 0.0 108.929 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.449 ' ND2' ' CE2' ' A' ' 341' ' ' PHE . 4.5 m-20 -63.4 -26.7 68.86 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -0.802 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.65 -45.6 78.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.195 -0.94 . . . . 0.0 109.705 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.976 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -69.97 -41.34 74.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.157 -0.964 . . . . 0.0 109.653 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.811 HD13 ' HD2' ' A' ' 337' ' ' ARG . 91.9 mt -57.09 -53.07 62.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 109.359 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.14 -33.47 72.21 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.36 -0.837 . . . . 0.0 108.874 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 1.03 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.22 -30.68 71.78 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' C' ' 350' ' ' LEU . 11.6 tttm -66.17 -40.16 90.29 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.16 -43.49 95.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.408 -0.808 . . . . 0.0 108.846 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.475 0 O-C-N 121.393 -0.817 . . . . 0.0 109.084 179.593 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . 0.443 ' HB2' ' CE2' ' C' ' 328' ' ' PHE . 1.4 mm-40 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -100.82 115.9 31.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 109.482 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' C' ' 326' ' ' GLU . 99.1 m-85 -115.96 152.56 33.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.931 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -117.37 126.56 52.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 109.556 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.449 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.3 OUTLIER -106.59 85.45 2.17 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.322 -0.861 . . . . 0.0 109.192 179.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.93 117.26 21.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.806 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.74 130.75 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.863 . . . . 0.0 109.176 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.3 ttp-105 -89.41 93.65 9.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.168 -0.957 . . . . 0.0 109.582 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.05 -138.37 3.2 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -168.3 -47.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.323 -1.104 . . . . 0.0 109.115 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -76.34 -41.07 49.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.227 -0.92 . . . . 0.0 109.185 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.673 ' HD3' HD22 ' D' ' 348' ' ' LEU . 3.4 mtt-85 -66.78 -41.81 87.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.326 -0.859 . . . . 0.0 109.082 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.459 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 89.8 t80 -60.72 -40.7 93.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.275 -0.891 . . . . 0.0 109.147 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.7 -47.18 82.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.259 -0.901 . . . . 0.0 108.949 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.1 mtp -49.89 -53.64 24.62 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.335 -0.853 . . . . 0.0 108.988 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.581 ' CE2' ' ND2' ' D' ' 345' ' ' ASN . 15.6 m-85 -62.36 -29.22 70.31 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.416 -0.803 . . . . 0.0 109.287 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -32.98 74.82 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.333 -0.854 . . . . 0.0 109.14 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.91 -53.5 12.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.3 -0.875 . . . . 0.0 109.582 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.5 mm? -52.28 -49.25 64.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.2 -0.938 . . . . 0.0 108.955 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.564 ' ND2' ' CE2' ' D' ' 341' ' ' PHE . 3.5 m-20 -64.37 -26.49 68.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.471 -0.768 . . . . 0.0 109.541 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.43 -44.53 78.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.306 -0.871 . . . . 0.0 109.503 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.917 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -71.18 -38.36 72.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.258 -0.901 . . . . 0.0 109.609 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.675 HD22 ' HD3' ' D' ' 337' ' ' ARG . 91.6 mt -60.26 -52.64 64.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.022 -1.049 . . . . 0.0 109.308 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.66 -33.49 71.62 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.332 -0.855 . . . . 0.0 109.039 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 1.03 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -63.77 -30.38 71.48 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.614 ' HG3' HD22 ' B' ' 350' ' ' LEU . 11.9 tttm -66.14 -39.6 89.96 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.75 -43.53 97.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.311 -0.868 . . . . 0.0 108.859 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.382 -0.824 . . . . 0.0 109.185 179.678 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . 0.445 ' HB2' ' CE2' ' D' ' 328' ' ' PHE . 1.5 mm-40 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.29 0.566 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -100.41 115.7 30.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.23 -0.919 . . . . 0.0 109.579 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' D' ' 326' ' ' GLU . 99.0 m-85 -115.94 152.7 32.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.205 -0.934 . . . . 0.0 109.305 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.931 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -117.51 126.54 52.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 109.573 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.459 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.3 OUTLIER -106.66 85.59 2.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.337 -0.852 . . . . 0.0 109.169 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -80.68 117.3 21.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.264 -0.897 . . . . 0.0 109.769 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.78 130.96 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.24 -0.912 . . . . 0.0 109.362 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -89.74 93.98 9.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.27 -0.894 . . . . 0.0 109.582 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.72 -138.73 3.44 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -167.82 -47.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.373 -1.075 . . . . 0.0 109.098 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -76.32 -41.39 48.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.288 -0.883 . . . . 0.0 109.195 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.675 ' HD3' HD22 ' C' ' 348' ' ' LEU . 3.5 mtt-85 -66.56 -41.34 88.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.343 -0.848 . . . . 0.0 109.186 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 90.5 t80 -61.18 -40.23 93.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.245 -0.91 . . . . 0.0 109.218 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.98 -46.87 82.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.175 -0.953 . . . . 0.0 108.911 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.1 mtp -50.24 -53.86 25.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.345 -0.847 . . . . 0.0 108.916 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.564 ' CE2' ' ND2' ' C' ' 345' ' ' ASN . 14.6 m-85 -61.86 -29.17 70.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.478 -0.764 . . . . 0.0 109.292 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -32.3 73.96 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.405 -0.81 . . . . 0.0 109.185 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.02 -53.34 13.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.317 -0.865 . . . . 0.0 109.506 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.3 mm? -52.47 -49.72 64.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.145 -0.972 . . . . 0.0 108.979 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.581 ' ND2' ' CE2' ' C' ' 341' ' ' PHE . 3.5 m-20 -63.83 -26.18 68.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.438 -0.789 . . . . 0.0 109.527 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.29 -45.38 76.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.535 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.923 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -69.97 -40.49 75.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.898 . . . . 0.0 109.643 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.673 HD22 ' HD3' ' C' ' 337' ' ' ARG . 85.5 mt -58.66 -52.48 65.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.171 -0.956 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.94 -33.79 72.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.251 -0.906 . . . . 0.0 108.901 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.998 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -63.18 -30.59 71.71 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.57 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.628 ' HG3' HD22 ' A' ' 350' ' ' LEU . 11.4 tttm -66.28 -39.77 89.61 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.437 -0.789 . . . . 0.0 108.908 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.43 -43.04 97.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.337 -0.852 . . . . 0.0 108.752 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.461 0 O-C-N 121.338 -0.851 . . . . 0.0 109.225 179.694 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.309 0.576 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' CD ' ' B' ' 333' ' ' ARG . 13.8 m-85 -110.21 109.55 20.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 0.0 109.523 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 32.8 m-85 -96.59 176.26 6.09 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.226 -0.921 . . . . 0.0 109.096 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.048 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -133.3 133.96 43.25 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.306 -0.871 . . . . 0.0 109.571 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.2 OUTLIER -116.2 96.5 5.58 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.439 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.654 ' HG3' HG23 ' B' ' 329' ' ' THR . 3.3 mt-30 -88.62 111.82 22.35 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.243 -0.911 . . . . 0.0 108.782 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 330' ' ' LEU . 4.3 mt -111.81 136.63 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.378 -0.827 . . . . 0.0 109.851 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.441 ' CD ' ' CZ ' ' B' ' 327' ' ' TYR . 1.2 ttp85 -95.14 130.54 41.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.358 -0.839 . . . . 0.0 109.017 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 136.6 -124.59 3.2 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 0.6 OUTLIER 178.09 -52.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.32 -1.106 . . . . 0.0 109.135 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -66.81 -50.3 63.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 0.0 108.999 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.752 ' HD3' HD22 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -56.54 -43.01 79.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.21 -0.931 . . . . 0.0 108.866 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.68 ' CE1' HD12 ' B' ' 330' ' ' LEU . 75.4 t80 -58.77 -37.07 75.45 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.314 -0.866 . . . . 0.0 108.993 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 10.2 mt-10 -62.5 -40.81 97.89 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.262 -0.899 . . . . 0.0 108.802 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 mtm -58.45 -50.9 72.03 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.79 0.805 . . . . 0.0 109.31 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.595 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.4 m-85 -62.73 -27.81 69.53 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.764 0.792 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -68.05 -30.83 70.14 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.76 -55.92 5.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.433 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.593 HD11 ' HE1' ' C' ' 341' ' ' PHE . 1.0 OUTLIER -54.57 -44.43 72.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 0.0 108.761 179.613 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 341' ' ' PHE . 8.8 t-20 -64.95 -28.81 69.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.603 -0.686 . . . . 0.0 109.227 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.19 -45.73 69.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.565 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.711 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -64.86 -47.66 77.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.089 -1.007 . . . . 0.0 109.564 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.71 HD22 ' HD3' ' B' ' 337' ' ' ARG . 22.5 mt -54.24 -55.41 28.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.0 108.526 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -56.83 -26.77 59.01 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.952 ' CD1' HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -68.5 -37.0 79.7 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.538 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 15.8 ttpp -57.72 -40.75 80.31 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -29.85 69.02 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.445 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.204 -0.935 . . . . 0.0 109.857 -179.886 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.296 0.57 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.441 ' CZ ' ' CD ' ' A' ' 333' ' ' ARG . 13.6 m-85 -110.92 108.9 18.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -0.922 . . . . 0.0 109.63 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 34.1 m-85 -97.8 169.85 9.38 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.211 -0.931 . . . . 0.0 109.37 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.048 HG22 HG22 ' A' ' 329' ' ' THR . 0.3 OUTLIER -126.06 141.3 52.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.442 -0.786 . . . . 0.0 109.777 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.68 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -123.29 87.93 2.83 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.425 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 2.8 mt-30 -80.77 112.72 18.42 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.18 -0.95 . . . . 0.0 109.708 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.64 136.35 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 109.556 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.456 ' CD ' ' CZ ' ' A' ' 327' ' ' TYR . 1.1 ttp85 -94.84 130.32 41.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.288 -0.883 . . . . 0.0 109.15 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 136.48 -124.4 3.17 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 0.6 OUTLIER 178.36 -52.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.245 -1.15 . . . . 0.0 109.222 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.41 -50.21 64.18 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.232 -0.917 . . . . 0.0 109.071 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.71 ' HD3' HD22 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -56.32 -44.62 80.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -0.918 . . . . 0.0 109.047 179.575 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.605 ' CE1' HD12 ' A' ' 330' ' ' LEU . 74.7 t80 -57.45 -36.94 72.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 108.962 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 9.0 mt-10 -62.6 -42.2 99.43 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 mtm -58.45 -51.84 68.16 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.564 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.3 m-85 -61.67 -25.31 67.31 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.389 -0.819 . . . . 0.0 109.07 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -71.12 -28.34 64.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.249 -0.907 . . . . 0.0 109.038 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.99 -55.51 5.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.362 -0.836 . . . . 0.0 109.259 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.561 HD11 ' HE1' ' D' ' 341' ' ' PHE . 1.1 mm? -55.21 -44.35 75.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.144 -0.972 . . . . 0.0 108.681 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.552 ' HB2' ' O ' ' B' ' 341' ' ' PHE . 7.5 t-20 -64.29 -28.86 70.01 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.13 -45.54 66.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 0.0 109.575 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.698 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -64.78 -47.25 78.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.0 109.267 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.752 HD22 ' HD3' ' A' ' 337' ' ' ARG . 20.9 mt -54.96 -55.9 25.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 108.783 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -56.86 -27.09 59.92 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.935 ' CD1' HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.35 -38.48 84.89 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.52 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.544 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 15.8 ttpp -56.42 -39.85 73.74 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -28.41 66.38 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.47 -0.768 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.333 -0.854 . . . . 0.0 109.633 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.522 ' CZ ' ' CD ' ' D' ' 333' ' ' ARG . 13.7 m-85 -111.2 109.12 19.01 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.2 -0.937 . . . . 0.0 109.519 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.596 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 33.5 m-85 -96.57 174.29 6.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 109.412 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.96 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -130.86 136.43 48.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.187 -0.946 . . . . 0.0 109.711 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.699 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -119.2 89.42 3.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.284 -0.885 . . . . 0.0 108.807 179.656 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.542 ' HG3' HG23 ' D' ' 329' ' ' THR . 3.1 mt-30 -82.27 112.22 19.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.205 -0.935 . . . . 0.0 109.714 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.48 136.85 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.515 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.555 ' CD ' ' CZ ' ' D' ' 327' ' ' TYR . 1.3 ttp85 -95.16 130.14 41.99 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.307 -0.871 . . . . 0.0 109.443 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 136.36 -124.1 3.1 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 0.7 OUTLIER 178.51 -52.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -1.122 . . . . 0.0 109.307 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.35 -50.56 63.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.165 -0.959 . . . . 0.0 109.005 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.715 ' HD3' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -56.21 -43.7 78.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -0.912 . . . . 0.0 108.943 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.679 ' CE1' HD12 ' D' ' 330' ' ' LEU . 75.8 t80 -57.92 -37.68 74.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.423 -0.798 . . . . 0.0 109.054 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 9.2 mt-10 -61.87 -41.88 98.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.399 -0.813 . . . . 0.0 108.88 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 mtm -58.62 -51.63 69.09 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.593 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.3 m-85 -61.98 -24.49 67.05 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.485 -0.759 . . . . 0.0 109.199 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 mmt-85 -71.78 -28.18 63.45 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.338 -0.851 . . . . 0.0 108.812 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -78.68 -55.39 5.22 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.425 -0.797 . . . . 0.0 109.236 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.595 HD11 ' HE1' ' A' ' 341' ' ' PHE . 1.0 OUTLIER -55.09 -44.06 74.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.115 -0.99 . . . . 0.0 108.622 179.423 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' C' ' 341' ' ' PHE . 8.9 t-20 -65.47 -27.85 68.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.479 -0.763 . . . . 0.0 109.449 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 28.1 tt0 -70.75 -45.26 65.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 0.0 109.447 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.715 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -65.22 -45.83 83.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.297 -0.877 . . . . 0.0 109.194 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.694 HD22 ' HD3' ' D' ' 337' ' ' ARG . 21.5 mt -56.28 -55.84 28.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.935 . . . . 0.0 108.759 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.6 -27.26 57.67 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.935 HD11 ' CD1' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -67.29 -38.44 85.05 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.521 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.543 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 15.7 ttpp -56.2 -40.12 73.52 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -28.28 66.43 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.593 -0.692 . . . . 0.0 109.488 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 0.0 109.578 -179.82 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.285 0.564 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.555 ' CZ ' ' CD ' ' C' ' 333' ' ' ARG . 13.6 m-85 -111.38 109.62 19.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.219 -0.926 . . . . 0.0 109.485 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.606 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 33.6 m-85 -97.17 174.0 6.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.156 -0.965 . . . . 0.0 109.354 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.96 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -130.56 136.41 48.89 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.71 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.679 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -119.13 89.49 3.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.31 -0.869 . . . . 0.0 108.897 179.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.534 ' HG3' HG23 ' C' ' 329' ' ' THR . 3.0 mt-30 -82.18 112.12 18.92 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.235 -0.916 . . . . 0.0 109.76 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.21 136.86 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.182 -0.949 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.522 ' CD ' ' CZ ' ' C' ' 327' ' ' TYR . 1.2 ttp85 -95.23 130.37 42.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.258 -0.901 . . . . 0.0 109.42 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 136.17 -124.24 3.17 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 0.7 OUTLIER 178.54 -52.15 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -1.124 . . . . 0.0 109.251 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.61 -50.62 62.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 108.939 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.694 ' HD3' HD22 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -56.03 -43.89 78.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.225 -0.922 . . . . 0.0 108.858 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.699 ' CE1' HD12 ' C' ' 330' ' ' LEU . 75.5 t80 -57.72 -37.84 74.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.293 -0.879 . . . . 0.0 109.056 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 9.1 mt-10 -61.78 -42.04 98.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 0.0 108.802 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 mtm -58.43 -51.65 68.95 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.561 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.3 m-85 -61.99 -24.41 67.01 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.324 -0.86 . . . . 0.0 109.105 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.1 mmt-85 -71.79 -28.35 63.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.331 -0.855 . . . . 0.0 108.904 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -78.27 -55.69 5.05 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.331 -0.855 . . . . 0.0 109.224 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.564 HD11 ' HE1' ' B' ' 341' ' ' PHE . 0.9 OUTLIER -55.22 -43.77 74.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.212 -0.93 . . . . 0.0 108.723 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' D' ' 341' ' ' PHE . 8.6 t-20 -65.49 -27.8 68.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.456 -0.777 . . . . 0.0 109.418 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 27.4 tt0 -70.42 -45.41 65.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 109.39 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.694 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -64.68 -47.61 77.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 109.203 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.715 HD22 ' HD3' ' C' ' 337' ' ' ARG . 20.8 mt -54.92 -55.78 26.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.197 -0.939 . . . . 0.0 108.841 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -56.76 -27.36 59.37 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.952 HD11 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -67.18 -38.33 85.21 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.477 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.531 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 15.9 ttpp -56.36 -39.94 73.71 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -28.16 66.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.571 -0.705 . . . . 0.0 109.457 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 109.657 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.537 ' CE1' ' HD2' ' B' ' 333' ' ' ARG . 2.6 m-85 -104.17 127.71 51.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.612 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 37.4 m-85 -123.94 174.04 7.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -0.881 . . . . 0.0 109.194 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.105 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -134.85 132.02 38.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.0 109.901 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.825 HD12 ' HE1' ' B' ' 338' ' ' PHE . 0.2 OUTLIER -111.83 96.72 6.23 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 8.7 mt-30 -87.7 110.02 20.13 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.125 -0.985 . . . . 0.0 108.81 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.15 145.23 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.421 -0.799 . . . . 0.0 109.658 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.5 ' HD2' ' CE1' ' B' ' 327' ' ' TYR . 19.8 ttt-85 -111.59 89.11 2.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.366 -0.834 . . . . 0.0 109.225 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.22 -120.8 0.77 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -179.16 -45.21 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.25 -1.147 . . . . 0.0 109.324 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -73.96 -57.52 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.272 -0.893 . . . . 0.0 109.199 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.485 ' HD2' ' HB3' ' B' ' 348' ' ' LEU . 38.5 mtm-85 -51.26 -45.6 62.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.137 -0.977 . . . . 0.0 108.944 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.749 ' HE1' HD12 ' B' ' 330' ' ' LEU . 11.4 t80 -54.23 -38.67 65.97 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.319 -0.863 . . . . 0.0 109.322 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.96 -42.93 84.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.12 -0.987 . . . . 0.0 109.466 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.484 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 23.2 mtp -53.54 -55.6 24.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.867 . . . . 0.0 109.441 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -57.2 -32.85 66.89 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.854 0.835 . . . . 0.0 109.266 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -58.58 -42.35 87.83 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.39 0.614 . . . . 0.0 109.397 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.81 -47.78 70.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.289 -0.882 . . . . 0.0 109.649 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.715 HD12 HD12 ' D' ' 344' ' ' LEU . 0.7 OUTLIER -55.32 -44.91 76.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.393 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.451 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.3 m-20 -66.54 -25.27 66.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.319 -0.863 . . . . 0.0 109.894 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -57.34 6.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.311 -0.868 . . . . 0.0 109.983 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.523 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -65.85 -48.32 72.0 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.321 -0.862 . . . . 0.0 110.228 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 344' ' ' LEU . 31.6 mt -50.89 -49.8 58.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 109.209 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.39 -31.88 71.8 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.235 -0.915 . . . . 0.0 108.946 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.957 ' O ' HD12 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -73.91 -21.63 59.99 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 120.879 -1.138 . . . . 0.0 108.673 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.574 ' HA ' HD21 ' D' ' 350' ' ' LEU . 7.0 ttpt -66.39 -43.43 85.85 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -30.91 70.12 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.93 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.883 179.843 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.338 0.589 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.5 ' CE1' ' HD2' ' A' ' 333' ' ' ARG . 2.7 m-85 -103.68 127.61 51.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.236 -0.915 . . . . 0.0 109.509 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 37.5 m-85 -125.15 169.91 11.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.31 -0.869 . . . . 0.0 109.388 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.105 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -129.39 139.63 51.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.299 -0.876 . . . . 0.0 109.755 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.749 HD12 ' HE1' ' A' ' 338' ' ' PHE . 0.2 OUTLIER -119.14 87.89 2.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.505 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 7.9 mt-30 -79.37 110.37 14.6 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.176 -0.952 . . . . 0.0 109.752 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.05 145.55 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -0.841 . . . . 0.0 109.176 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.537 ' HD2' ' CE1' ' A' ' 327' ' ' TYR . 19.6 ttt-85 -111.96 88.43 2.8 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.222 -0.924 . . . . 0.0 109.263 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.03 -120.6 0.75 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -179.02 -44.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.252 -1.146 . . . . 0.0 109.349 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -73.81 -57.53 3.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.91 . . . . 0.0 109.156 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.436 ' HD2' ' HB3' ' A' ' 348' ' ' LEU . 38.6 mtm-85 -51.26 -47.07 62.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.158 -0.964 . . . . 0.0 109.081 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.825 ' HE1' HD12 ' A' ' 330' ' ' LEU . 11.4 t80 -53.05 -38.74 62.7 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.377 -0.827 . . . . 0.0 109.254 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.95 -44.02 81.68 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.151 -0.968 . . . . 0.0 109.205 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.465 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 26.2 mtp -53.45 -56.23 18.67 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.284 -0.885 . . . . 0.0 108.901 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -56.97 -29.61 63.37 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.47 -0.769 . . . . 0.0 109.035 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -61.7 -42.07 98.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.447 -0.783 . . . . 0.0 109.601 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.32 -47.84 72.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.28 -0.887 . . . . 0.0 109.823 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.674 HD12 HD12 ' C' ' 344' ' ' LEU . 0.9 OUTLIER -55.79 -44.53 77.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.177 -0.952 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.545 ' ND2' HD21 ' A' ' 330' ' ' LEU . 1.5 m-20 -65.55 -26.61 67.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 109.764 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -60.86 2.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.237 -0.914 . . . . 0.0 109.794 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.563 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -62.25 -49.65 74.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.23 -0.919 . . . . 0.0 109.955 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.485 ' HB3' ' HD2' ' A' ' 337' ' ' ARG . 33.4 mt -50.04 -49.83 49.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.155 -0.965 . . . . 0.0 109.684 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -61.59 -34.34 75.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.18 -0.95 . . . . 0.0 109.159 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.968 HD12 ' O ' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -70.64 -22.54 62.5 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.256 -0.903 . . . . 0.0 108.913 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.639 ' HA ' HD21 ' C' ' 350' ' ' LEU . 7.4 ttpt -66.53 -41.88 88.08 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 0.0 108.907 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -27.05 64.07 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.372 -0.83 . . . . 0.0 108.998 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 0.0 109.383 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.301 0.572 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.531 ' CE1' ' HD2' ' D' ' 333' ' ' ARG . 2.7 m-85 -104.12 127.56 51.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.26 -0.9 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 38.0 m-85 -123.91 173.33 8.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 0.0 109.353 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 1.036 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -133.3 134.95 44.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.0 109.775 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.832 HD12 ' HE1' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -115.3 89.42 3.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 108.832 179.56 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 8.0 mt-30 -80.3 110.94 16.21 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.118 -0.989 . . . . 0.0 109.754 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.93 145.97 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.881 . . . . 0.0 109.387 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.522 ' HD2' ' CE1' ' D' ' 327' ' ' TYR . 18.9 ttt-85 -112.17 88.6 2.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.178 -0.951 . . . . 0.0 109.467 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.54 -120.53 0.75 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -178.9 -45.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.268 -1.136 . . . . 0.0 109.268 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -73.18 -58.09 3.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.297 -0.877 . . . . 0.0 109.188 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.517 ' HD2' ' HB3' ' D' ' 348' ' ' LEU . 40.0 mtm-85 -50.82 -46.43 59.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.271 -0.893 . . . . 0.0 109.077 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.843 ' HE1' HD12 ' D' ' 330' ' ' LEU . 11.1 t80 -53.48 -39.24 64.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.501 -0.749 . . . . 0.0 109.39 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.54 -43.82 84.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.259 -0.901 . . . . 0.0 109.212 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.484 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 26.6 mtp -53.55 -55.58 24.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -0.883 . . . . 0.0 108.798 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' D' ' 344' ' ' LEU . 17.2 m-85 -57.61 -29.25 64.35 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.432 -0.792 . . . . 0.0 109.14 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -62.07 -41.99 98.73 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.497 -0.752 . . . . 0.0 109.676 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.46 -48.01 71.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.244 -0.91 . . . . 0.0 109.621 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.674 HD12 HD12 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -55.59 -44.23 76.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.247 -0.908 . . . . 0.0 109.376 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.533 ' ND2' HD21 ' D' ' 330' ' ' LEU . 1.3 m-20 -66.77 -25.85 66.68 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.196 -0.94 . . . . 0.0 109.83 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.81 -60.32 2.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 0.0 109.928 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -62.54 -48.98 77.11 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.28 -0.887 . . . . 0.0 109.92 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.525 ' HB3' ' HD2' ' D' ' 337' ' ' ARG . 32.7 mt -51.02 -49.87 59.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.077 -1.015 . . . . 0.0 109.644 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.25 -34.05 74.53 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.258 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.964 ' O ' HD12 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -70.86 -22.51 62.29 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.296 -0.877 . . . . 0.0 108.926 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.657 ' HA ' HD21 ' B' ' 350' ' ' LEU . 7.2 ttpt -66.56 -41.44 88.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.337 -0.852 . . . . 0.0 109.028 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -26.91 63.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.347 -0.846 . . . . 0.0 109.097 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.332 -0.855 . . . . 0.0 109.438 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.315 0.579 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.522 ' CE1' ' HD2' ' C' ' 333' ' ' ARG . 2.7 m-85 -103.88 127.49 51.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 0.0 109.57 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 39.6 m-85 -123.96 173.23 8.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 109.288 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 1.036 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -133.12 134.71 44.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.142 -0.974 . . . . 0.0 109.929 -179.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.843 HD12 ' HE1' ' C' ' 338' ' ' PHE . 0.2 OUTLIER -115.14 89.31 3.07 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 8.1 mt-30 -80.34 110.8 16.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.167 -0.958 . . . . 0.0 109.684 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.61 145.78 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 0.0 109.431 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.531 ' HD2' ' CE1' ' C' ' 327' ' ' TYR . 19.9 ttt-85 -111.9 88.8 2.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.212 -0.93 . . . . 0.0 109.626 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.12 -120.79 0.77 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -178.41 -45.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -1.139 . . . . 0.0 109.345 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.23 -57.93 3.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.914 . . . . 0.0 109.221 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.525 ' HD2' ' HB3' ' C' ' 348' ' ' LEU . 39.9 mtm-85 -51.03 -46.12 61.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.178 -0.951 . . . . 0.0 109.109 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.832 ' HE1' HD12 ' C' ' 330' ' ' LEU . 11.3 t80 -53.84 -38.87 65.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.369 -0.832 . . . . 0.0 109.235 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.81 -43.82 82.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.259 -0.9 . . . . 0.0 109.156 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.465 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 27.2 mtp -53.56 -56.07 20.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.184 -0.947 . . . . 0.0 108.853 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' C' ' 344' ' ' LEU . 17.3 m-85 -57.1 -29.12 63.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.505 -0.747 . . . . 0.0 109.127 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -62.29 -42.09 99.05 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.432 -0.793 . . . . 0.0 109.666 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.416 ' HB3' ' HE1' ' B' ' 340' ' ' MET . 2.6 tp10 -66.29 -47.98 71.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.0 109.783 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -55.41 -44.77 76.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 109.386 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.559 ' ND2' HD21 ' C' ' 330' ' ' LEU . 1.4 m-20 -66.12 -25.81 67.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.251 -0.905 . . . . 0.0 109.907 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -60.52 2.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.872 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.571 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -62.23 -49.81 74.25 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.926 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.517 ' HB3' ' HD2' ' C' ' 337' ' ' ARG . 33.8 mt -50.21 -49.92 51.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.161 -0.962 . . . . 0.0 109.645 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.35 -34.32 75.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.239 -0.913 . . . . 0.0 109.229 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.949 ' O ' HD12 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -70.48 -22.76 62.63 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.381 -0.825 . . . . 0.0 108.819 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.664 ' HA ' HD21 ' A' ' 350' ' ' LEU . 7.4 ttpt -66.44 -41.35 89.26 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.365 -0.835 . . . . 0.0 109.069 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -26.69 63.28 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.354 -0.841 . . . . 0.0 108.977 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 0.0 109.611 179.91 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.407 0.622 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.467 ' CZ ' ' HD3' ' B' ' 333' ' ' ARG . 29.9 m-85 -99.61 115.01 28.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.37 -0.831 . . . . 0.0 109.672 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.499 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 32.9 m-85 -111.83 132.48 54.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.212 -0.93 . . . . 0.0 109.099 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 1.113 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -99.88 113.63 26.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 110.046 -179.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 0.5 OUTLIER -95.93 92.49 6.52 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.434 ' CG ' HG23 ' B' ' 329' ' ' THR . 32.0 mt-30 -87.37 111.4 21.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.937 -1.102 . . . . 0.0 108.771 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.415 HD11 HD21 ' B' ' 345' ' ' ASN . 6.4 mt -111.97 120.25 61.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.358 -0.839 . . . . 0.0 109.925 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.447 ' HD3' ' CZ ' ' B' ' 327' ' ' TYR . 9.7 ttm180 -79.87 93.87 5.73 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 178.19 -131.11 1.69 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.314 -1.515 . . . . 0.0 109.314 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 1.7 ttt180 179.23 -61.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -1.15 . . . . 0.0 109.556 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.61 -39.98 93.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.693 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.629 ' CD ' HD13 ' B' ' 348' ' ' LEU . 6.7 mtm105 -72.34 -24.87 61.36 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.946 -1.096 . . . . 0.0 108.666 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' B' ' 330' ' ' LEU . 40.5 t80 -67.6 -32.0 72.43 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.316 -0.865 . . . . 0.0 108.733 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 23.8 mt-10 -72.43 -48.5 40.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.292 -0.88 . . . . 0.0 109.233 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.495 ' O ' HD22 ' A' ' 344' ' ' LEU . 2.9 mtm -48.77 -54.98 12.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.654 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.561 ' CE2' ' ND2' ' B' ' 345' ' ' ASN . 8.6 m-85 -63.33 -35.5 80.6 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 121.68 0.752 . . . . 0.0 109.455 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -32.27 69.47 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -74.61 -52.01 12.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 109.56 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.8 mm? -55.12 -37.69 67.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.929 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.612 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 2.7 m-20 -75.72 -25.05 56.28 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.356 -0.84 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.29 -44.38 71.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.332 -0.855 . . . . 0.0 109.711 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 1.008 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -68.6 -49.19 61.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.19 -0.944 . . . . 0.0 109.627 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' D' ' 347' ' ' ALA . 57.1 mt -53.53 -46.67 70.23 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.33 -31.3 71.9 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 1.019 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -67.7 -27.13 66.56 Favored 'General case' 0 C--N 1.311 -1.08 0 O-C-N 121.042 -1.036 . . . . 0.0 108.465 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.743 ' HD2' HD22 ' D' ' 350' ' ' LEU . 4.2 tptt -65.76 -42.5 90.82 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.95 -40.66 89.78 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.641 -0.824 . . . . 0.0 108.897 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.751 0 O-C-N 121.293 -0.879 . . . . 0.0 109.634 179.867 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.339 0.59 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.447 ' CZ ' ' HD3' ' A' ' 333' ' ' ARG . 32.4 m-85 -98.81 115.87 29.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.495 -0.753 . . . . 0.0 109.638 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 338' ' ' PHE . 30.9 m-85 -112.89 131.52 55.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.405 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 1.113 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -98.29 121.23 39.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.168 -0.958 . . . . 0.0 109.469 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -103.98 77.44 1.44 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.531 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.445 ' CG ' HG23 ' A' ' 329' ' ' THR . 32.1 mt-30 -73.99 112.41 10.1 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.368 -0.833 . . . . 0.0 109.978 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.51 122.93 67.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.3 -0.875 . . . . 0.0 109.004 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 327' ' ' TYR . 10.5 ttm180 -83.24 89.79 7.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.883 . . . . 0.0 108.926 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . -178.35 -130.08 1.37 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 1.8 ttt180 179.49 -60.89 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.202 -1.175 . . . . 0.0 109.564 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.59 -40.36 91.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 109.639 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.586 ' CD ' HD13 ' A' ' 348' ' ' LEU . 7.6 mtm105 -72.29 -25.75 61.71 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.074 -1.016 . . . . 0.0 109.171 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 40.3 t80 -67.14 -31.55 72.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.333 -0.854 . . . . 0.0 108.752 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 22.3 mt-10 -72.91 -49.54 29.02 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.418 -0.801 . . . . 0.0 109.034 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.492 ' O ' HD22 ' B' ' 344' ' ' LEU . 3.5 mtm -48.84 -56.02 9.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.309 -0.869 . . . . 0.0 109.032 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.612 ' CE2' ' ND2' ' A' ' 345' ' ' ASN . 11.8 m-85 -62.95 -32.27 73.55 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.503 -0.748 . . . . 0.0 109.396 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -62.04 -31.21 71.59 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.375 -179.615 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.74 -52.64 10.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.282 -0.886 . . . . 0.0 109.763 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.796 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.5 mm? -54.7 -38.53 67.15 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.187 -0.945 . . . . 0.0 109.168 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.561 ' ND2' ' CE2' ' A' ' 341' ' ' PHE . 3.1 m-20 -73.92 -26.01 60.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.398 -0.814 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.29 -44.88 70.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.349 -0.845 . . . . 0.0 109.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.969 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -67.17 -51.44 53.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.257 -0.902 . . . . 0.0 109.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.911 HD23 ' HB2' ' C' ' 347' ' ' ALA . 57.8 mt -52.23 -45.99 65.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.184 -0.948 . . . . 0.0 108.796 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.18 -32.4 73.79 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 1.016 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -65.54 -28.98 69.56 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.772 ' HD2' HD22 ' C' ' 350' ' ' LEU . 4.4 tptt -64.21 -42.85 96.43 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.68 -40.35 87.55 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.459 -0.776 . . . . 0.0 109.042 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.296 -0.878 . . . . 0.0 109.313 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.337 0.589 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.504 ' CZ ' ' HD3' ' D' ' 333' ' ' ARG . 30.7 m-85 -100.08 115.23 29.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.558 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.486 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 31.5 m-85 -111.81 132.75 54.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.199 -0.938 . . . . 0.0 109.271 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 1.046 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -99.94 116.36 31.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 110.004 -179.5 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.549 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -99.18 80.75 2.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.266 -0.896 . . . . 0.0 108.814 179.318 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.442 ' CG ' HG23 ' D' ' 329' ' ' THR . 32.8 mt-30 -76.55 112.93 13.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.0 109.837 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.65 121.06 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 109.393 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.487 ' HD3' ' CZ ' ' D' ' 327' ' ' TYR . 10.0 ttm180 -81.02 91.07 6.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.894 . . . . 0.0 109.312 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . -179.36 -130.52 1.47 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 1.8 ttt180 179.51 -61.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -1.098 . . . . 0.0 109.482 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.47 -40.28 90.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.251 -0.905 . . . . 0.0 109.652 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.55 ' CD ' HD13 ' D' ' 348' ' ' LEU . 7.5 mtm105 -72.47 -25.28 61.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.109 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 42.1 t80 -67.52 -31.9 72.32 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.227 -0.921 . . . . 0.0 108.79 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 22.3 mt-10 -72.35 -49.5 33.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.818 . . . . 0.0 108.998 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.459 ' O ' HD22 ' C' ' 344' ' ' LEU . 3.4 mtm -48.82 -55.18 12.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.327 -0.858 . . . . 0.0 108.957 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.601 ' CE2' ' ND2' ' D' ' 345' ' ' ASN . 11.7 m-85 -63.5 -31.62 72.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.431 -0.793 . . . . 0.0 109.516 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.418 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -62.94 -30.38 71.52 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.264 -0.898 . . . . 0.0 109.46 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -75.11 -52.69 10.39 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.132 -0.98 . . . . 0.0 109.532 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.796 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.6 mm? -55.07 -38.76 68.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.593 ' ND2' ' CE2' ' D' ' 341' ' ' PHE . 2.8 m-20 -74.13 -25.27 59.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.834 . . . . 0.0 109.226 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.27 -44.44 68.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.358 -0.839 . . . . 0.0 109.468 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.946 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -67.6 -49.54 62.6 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.241 -0.912 . . . . 0.0 109.29 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.838 HD23 ' HB2' ' B' ' 347' ' ' ALA . 57.7 mt -54.34 -45.54 72.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.057 -1.027 . . . . 0.0 108.739 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -63.27 -31.95 73.23 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 1.016 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -66.04 -29.47 69.83 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.367 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.83 ' HD2' HD22 ' B' ' 350' ' ' LEU . 4.3 tptt -63.64 -42.3 98.15 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.31 -40.2 89.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.336 -0.852 . . . . 0.0 109.207 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.361 -0.837 . . . . 0.0 109.309 179.882 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.342 0.591 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' C' ' 333' ' ' ARG . 31.1 m-85 -100.26 115.08 29.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.626 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.507 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 31.9 m-85 -111.64 132.85 54.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.158 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 1.046 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -100.11 116.24 31.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.307 -0.871 . . . . 0.0 109.943 -179.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.558 ' HG ' ' CZ ' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -99.05 80.66 2.49 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.301 -0.874 . . . . 0.0 108.799 179.324 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.456 ' CG ' HG23 ' C' ' 329' ' ' THR . 32.8 mt-30 -76.4 112.86 13.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.883 . . . . 0.0 109.826 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 5.8 mt -113.38 120.91 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.344 -0.847 . . . . 0.0 109.469 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.504 ' HD3' ' CZ ' ' C' ' 327' ' ' TYR . 10.1 ttm180 -80.95 91.08 5.98 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.9 . . . . 0.0 109.432 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . -179.5 -130.68 1.5 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 1.8 ttt180 179.89 -60.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.278 -1.13 . . . . 0.0 109.491 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.56 -40.2 90.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.623 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.538 ' CD ' HD13 ' C' ' 348' ' ' LEU . 7.2 mtm105 -72.54 -25.42 61.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.087 -1.008 . . . . 0.0 109.071 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.549 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 41.9 t80 -67.34 -31.98 72.62 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.295 -0.878 . . . . 0.0 108.778 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 22.5 mt-10 -72.28 -49.54 33.97 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.301 -0.875 . . . . 0.0 108.9 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.467 ' HA ' ' SD ' ' B' ' 340' ' ' MET . 3.5 mtm -48.66 -55.53 11.03 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.234 -0.916 . . . . 0.0 109.025 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.593 ' CE2' ' ND2' ' C' ' 345' ' ' ASN . 11.5 m-85 -63.26 -31.63 72.83 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.485 -0.759 . . . . 0.0 109.555 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.4 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -62.81 -30.55 71.57 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.295 -0.878 . . . . 0.0 109.562 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.405 ' HB3' ' HE1' ' B' ' 340' ' ' MET . 16.9 tp10 -75.26 -52.16 11.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.197 -0.939 . . . . 0.0 109.615 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.5 mm? -55.28 -38.71 68.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.149 -0.969 . . . . 0.0 109.215 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' C' ' 341' ' ' PHE . 2.9 m-20 -74.34 -25.09 59.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 0.0 109.251 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.08 -45.02 67.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.323 -0.861 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.977 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -66.84 -51.47 55.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.166 -0.959 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 347' ' ' ALA . 59.9 mt -52.43 -46.08 66.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.225 -0.922 . . . . 0.0 108.807 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.95 -32.52 73.84 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 1.019 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -65.37 -29.15 69.84 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.362 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.871 ' HD2' HD22 ' A' ' 350' ' ' LEU . 4.2 tptt -64.29 -42.59 96.31 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.92 -39.68 86.29 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.325 -0.86 . . . . 0.0 109.079 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.355 -0.841 . . . . 0.0 109.325 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -130.41 175.88 8.6 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -1.139 . . . . 0.0 109.528 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 10.7 m-85 -112.45 130.06 56.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.258 -0.901 . . . . 0.0 109.305 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.592 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 96.4 m-85 -123.37 154.04 39.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 0.0 109.556 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.035 HG22 HG22 ' B' ' 329' ' ' THR . 0.3 OUTLIER -108.02 134.55 50.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.354 -0.841 . . . . 0.0 109.5 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.582 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -116.32 95.13 4.93 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.2 OUTLIER -89.92 112.57 23.99 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.212 -0.93 . . . . 0.0 109.009 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.473 HG12 ' OD1' ' B' ' 345' ' ' ASN . 3.2 mt -113.04 149.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.343 -0.848 . . . . 0.0 109.982 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -93.71 148.8 21.78 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.64 -147.92 18.91 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 18.9 ttt180 -158.85 -49.27 0.06 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -1.132 . . . . 0.0 109.368 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.29 -48.62 49.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 0.0 109.431 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.976 ' HD2' HD13 ' B' ' 348' ' ' LEU . 23.7 mtm-85 -53.62 -43.36 68.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.176 -0.952 . . . . 0.0 109.234 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.581 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 79.2 t80 -57.0 -35.55 69.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.228 -0.92 . . . . 0.0 109.106 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 21.9 mt-10 -66.08 -39.31 89.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 108.984 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.534 ' O ' HD22 ' A' ' 344' ' ' LEU . 9.4 mtm -54.78 -57.49 11.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 0.0 109.398 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' B' ' 344' ' ' LEU . 9.7 m-85 -58.26 -36.03 72.65 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.672 0.749 . . . . 0.0 109.521 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -35.71 76.76 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.0 -47.77 64.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.0 109.104 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.858 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.9 mm? -58.05 -35.15 70.91 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.259 -0.901 . . . . 0.0 108.775 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.469 ' OD1' HG12 ' B' ' 332' ' ' ILE . 7.0 m-20 -81.05 -19.64 43.37 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.329 -0.857 . . . . 0.0 109.264 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.4 -39.12 71.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.415 -0.803 . . . . 0.0 109.05 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.556 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -74.98 -45.84 39.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.339 -0.851 . . . . 0.0 108.922 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.966 HD13 ' HD2' ' B' ' 337' ' ' ARG . 69.3 mt -53.44 -48.14 69.06 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -32.14 71.29 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.13 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.63 -30.65 71.38 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 29.7 tttm -61.52 -45.89 92.29 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -22.14 66.43 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.03 30.43 4.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.555 -0.716 . . . . 0.0 109.633 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.474 ' HG3' ' HA ' ' A' ' 351' ' ' LYS . 3.5 mt-30 -84.74 60.94 6.45 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.344 -0.848 . . . . 0.0 109.601 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.396 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -130.58 175.94 8.58 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.205 -1.173 . . . . 0.0 109.414 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.61 130.18 56.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.581 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 95.8 m-85 -123.64 153.99 39.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.189 -0.944 . . . . 0.0 109.753 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.035 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -106.84 140.1 40.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.186 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.9 OUTLIER -121.38 86.59 2.6 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.294 -0.879 . . . . 0.0 108.978 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -82.3 113.23 19.96 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.277 -0.89 . . . . 0.0 109.68 -179.587 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.469 HG12 ' OD1' ' A' ' 345' ' ' ASN . 3.2 mt -114.21 148.81 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.252 -0.905 . . . . 0.0 109.699 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.418 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 2.1 ttp85 -92.95 149.54 21.17 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.293 -0.879 . . . . 0.0 109.056 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.28 -147.94 18.78 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 18.8 ttt180 -158.35 -48.7 0.06 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.262 -1.14 . . . . 0.0 109.493 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -71.28 -48.21 52.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.277 -0.89 . . . . 0.0 109.503 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.966 ' HD2' HD13 ' A' ' 348' ' ' LEU . 21.8 mtm-85 -53.91 -43.58 69.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.181 -0.949 . . . . 0.0 109.406 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 79.3 t80 -57.03 -34.92 68.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.912 . . . . 0.0 109.121 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 18.7 mt-10 -66.59 -40.03 88.71 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.258 -0.901 . . . . 0.0 109.003 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.534 ' O ' HD22 ' B' ' 344' ' ' LEU . 11.9 mtm -55.39 -58.18 8.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 108.833 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.513 ' CE1' ' HB2' ' A' ' 344' ' ' LEU . 12.3 m-85 -57.42 -34.26 68.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.47 -0.768 . . . . 0.0 109.266 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -35.0 77.94 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.389 -0.82 . . . . 0.0 109.344 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.409 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 1.1 tp10 -69.02 -48.2 63.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 109.144 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.861 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.9 mm? -58.69 -33.06 69.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.188 -0.945 . . . . 0.0 108.703 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.473 ' OD1' HG12 ' A' ' 332' ' ' ILE . 7.8 m-20 -82.36 -20.5 37.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.447 -0.783 . . . . 0.0 108.994 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.85 -39.14 73.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.38 -0.825 . . . . 0.0 108.921 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.576 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -74.09 -47.52 35.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 108.849 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.976 HD13 ' HD2' ' A' ' 337' ' ' ARG . 66.1 mt -52.57 -47.56 66.76 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -34.04 73.9 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.38 -31.0 72.04 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.539 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 30.0 tttm -61.73 -44.87 96.09 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -21.07 65.81 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -103.11 30.8 4.61 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.421 -0.8 . . . . 0.0 109.346 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.44 ' CD ' HD13 ' C' ' 350' ' ' LEU . 3.4 mt-30 -84.95 60.92 6.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.306 -0.871 . . . . 0.0 109.496 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.339 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -130.78 175.74 8.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.252 -1.146 . . . . 0.0 109.442 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 10.6 m-85 -112.51 130.3 56.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.598 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 96.7 m-85 -123.34 155.0 38.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.189 -0.945 . . . . 0.0 109.68 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.948 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -108.39 136.31 48.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.892 . . . . 0.0 109.572 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.586 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.9 OUTLIER -117.83 88.73 2.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.917 . . . . 0.0 109.301 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -84.17 112.91 20.68 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.276 -0.89 . . . . 0.0 109.577 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.472 HG12 ' OD1' ' D' ' 345' ' ' ASN . 3.2 mt -113.88 149.44 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.91 . . . . 0.0 109.768 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.5 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 2.2 ttp85 -93.47 149.36 21.29 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.293 -0.88 . . . . 0.0 109.193 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.28 -147.4 18.77 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 18.9 ttt180 -158.76 -48.67 0.06 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -1.198 . . . . 0.0 109.512 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -71.24 -48.47 50.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.226 -0.921 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.956 ' HD2' HD13 ' D' ' 348' ' ' LEU . 22.0 mtm-85 -53.89 -43.05 69.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 109.426 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.613 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 79.8 t80 -57.41 -35.27 69.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.249 -0.907 . . . . 0.0 109.121 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 18.9 mt-10 -66.15 -39.78 90.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.32 -0.863 . . . . 0.0 108.992 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.522 ' O ' HD22 ' C' ' 344' ' ' LEU . 11.6 mtm -55.44 -57.63 11.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.235 -0.916 . . . . 0.0 108.764 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.529 ' CE1' ' HB2' ' D' ' 344' ' ' LEU . 12.3 m-85 -57.81 -33.76 68.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.499 -0.75 . . . . 0.0 109.426 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.53 77.77 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.429 -0.795 . . . . 0.0 109.408 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.52 -48.19 61.32 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.22 -0.925 . . . . 0.0 109.014 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.8 mm? -58.61 -33.06 69.6 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 108.753 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.467 ' OD1' HG12 ' D' ' 332' ' ' ILE . 6.9 m-20 -82.77 -20.37 36.0 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 109.036 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -71.52 -38.59 71.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.387 -0.821 . . . . 0.0 108.884 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.574 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -74.66 -45.84 41.98 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.408 -0.807 . . . . 0.0 108.872 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.947 HD13 ' HD2' ' D' ' 337' ' ' ARG . 63.6 mt -54.45 -47.15 73.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.137 -0.977 . . . . 0.0 108.394 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.83 -34.48 74.61 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -62.73 -31.2 72.09 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.523 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 29.9 tttm -61.39 -44.74 96.64 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -20.36 65.51 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -103.84 30.89 4.8 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.502 -0.749 . . . . 0.0 109.259 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.537 ' CD ' HD13 ' B' ' 350' ' ' LEU . 3.2 mt-30 -84.94 60.71 6.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.302 -0.874 . . . . 0.0 109.447 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.396 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -130.97 176.01 8.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -1.17 . . . . 0.0 109.467 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.5 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 10.9 m-85 -112.71 130.13 56.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 109.451 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.613 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 96.8 m-85 -123.18 154.57 38.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 0.0 109.599 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.948 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -108.12 136.16 48.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.507 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.9 OUTLIER -117.7 88.76 2.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.866 . . . . 0.0 109.294 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -84.11 113.02 20.75 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.898 . . . . 0.0 109.524 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.467 HG12 ' OD1' ' C' ' 345' ' ' ASN . 3.2 mt -113.92 149.57 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.236 -0.915 . . . . 0.0 109.683 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 2.2 ttp85 -93.59 149.25 21.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.378 -0.826 . . . . 0.0 109.253 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 114.38 -147.13 18.78 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 18.6 ttt180 -158.66 -49.05 0.06 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.179 -1.189 . . . . 0.0 109.462 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -70.91 -48.73 52.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.257 -0.902 . . . . 0.0 109.442 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.947 ' HD2' HD13 ' C' ' 348' ' ' LEU . 21.9 mtm-85 -53.71 -43.17 68.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.394 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.598 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 79.7 t80 -57.32 -35.29 69.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -0.939 . . . . 0.0 109.105 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 18.8 mt-10 -65.96 -40.32 91.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.32 -0.863 . . . . 0.0 108.936 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.48 ' O ' HD22 ' D' ' 344' ' ' LEU . 11.4 mtm -55.02 -57.66 10.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 0.0 108.873 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 12.2 m-85 -57.78 -33.67 68.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.425 -0.797 . . . . 0.0 109.419 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -34.71 78.18 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.423 -0.798 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.435 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 1.1 tp10 -69.19 -48.19 62.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.184 -0.948 . . . . 0.0 109.01 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.858 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.8 mm? -58.7 -33.18 69.89 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.302 -0.874 . . . . 0.0 108.846 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.472 ' OD1' HG12 ' C' ' 332' ' ' ILE . 7.1 m-20 -82.59 -20.19 36.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.419 -0.801 . . . . 0.0 109.006 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -71.39 -38.84 71.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.445 -0.784 . . . . 0.0 108.96 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.58 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -74.21 -47.33 36.18 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.956 HD13 ' HD2' ' C' ' 337' ' ' ARG . 64.0 mt -52.94 -47.25 68.19 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -34.44 74.95 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.13 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -62.46 -31.83 72.61 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.245 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.524 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 30.1 tttm -61.07 -45.28 95.38 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -20.5 65.95 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -103.9 30.67 4.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.813 . . . . 0.0 109.282 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.602 ' CD ' HD13 ' A' ' 350' ' ' LEU . 3.4 mt-30 -84.95 60.7 6.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.374 -0.828 . . . . 0.0 109.46 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.471 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.86 -164.85 2.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.372 -1.075 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -108.11 141.72 39.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.345 -0.847 . . . . 0.0 109.585 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 14.3 m-85 -139.47 148.25 42.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.348 -0.845 . . . . 0.0 109.131 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -109.41 136.98 47.95 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 109.958 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.595 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -118.91 96.13 5.12 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.45 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.791 ' HG2' HG23 ' B' ' 329' ' ' THR . 76.2 mt-30 -88.59 115.57 26.21 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.177 -0.952 . . . . 0.0 109.177 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mt -119.5 150.79 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.441 -0.787 . . . . 0.0 109.746 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -95.25 158.54 15.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.322 -0.861 . . . . 0.0 109.15 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 106.9 -127.12 8.71 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 19.8 ttt180 178.53 -49.13 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.273 -1.134 . . . . 0.0 109.268 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -55.82 8.69 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.281 -0.887 . . . . 0.0 109.458 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.589 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -51.7 -37.3 50.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.115 -0.99 . . . . 0.0 109.058 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.571 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 60.2 t80 -60.23 -47.1 87.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.256 -0.903 . . . . 0.0 109.377 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 14.5 mt-10 -62.8 -33.37 75.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.225 -0.922 . . . . 0.0 109.403 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 3.3 mtp -56.15 -55.42 33.24 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.962 0.887 . . . . 0.0 109.555 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.587 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 15.9 m-85 -59.55 -37.14 77.62 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.853 0.835 . . . . 0.0 108.915 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.515 ' HA ' ' ND2' ' A' ' 345' ' ' ASN . 4.1 ttt180 -50.48 -37.09 36.72 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 2.0 tp10 -72.92 -54.34 8.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.397 -0.814 . . . . 0.0 110.084 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' D' ' 344' ' ' LEU . 1.8 mm? -50.78 -60.39 3.11 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.897 -1.127 . . . . 0.0 109.289 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.515 ' ND2' ' HA ' ' A' ' 342' ' ' ARG . 0.8 OUTLIER -58.34 -23.48 56.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.049 -1.032 . . . . 0.0 109.381 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 343' ' ' GLU . 2.3 mt-10 -65.48 -43.88 88.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.171 -0.956 . . . . 0.0 109.7 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.685 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -72.87 -47.17 48.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.114 -0.991 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' D' ' 347' ' ' ALA . 84.4 mt -50.67 -45.87 58.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.145 -0.972 . . . . 0.0 108.563 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -62.94 -34.6 77.82 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.011 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -67.67 -22.4 65.3 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.354 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.542 ' CA ' HD21 ' D' ' 350' ' ' LEU . 3.6 ttpp -68.91 -42.86 76.29 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -38.98 93.17 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 120.049 -0.661 . . . . 0.0 109.433 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.67 -5.12 46.6 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.147 -0.971 . . . . 0.0 109.631 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.662 ' NE2' HD13 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -80.42 -85.38 0.09 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.41 -0.806 . . . . 0.0 109.581 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.536 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.84 -162.46 1.56 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.316 -1.108 . . . . 0.0 109.407 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.46 141.44 43.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.185 -0.947 . . . . 0.0 109.399 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 14.3 m-85 -139.65 147.59 41.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.923 . . . . 0.0 109.54 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -107.15 144.28 34.12 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.227 -0.921 . . . . 0.0 109.47 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -125.99 86.01 2.47 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.66 ' HG2' HG23 ' A' ' 329' ' ' THR . 78.7 mt-30 -79.91 116.49 20.08 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 110.146 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.22 152.03 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.317 -0.864 . . . . 0.0 109.253 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -96.74 158.6 15.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 0.0 109.168 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 106.65 -126.92 8.66 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 20.1 ttt180 178.71 -49.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -1.119 . . . . 0.0 109.315 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -55.16 11.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 0.0 109.492 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.602 ' HD3' HD13 ' A' ' 348' ' ' LEU . 0.5 OUTLIER -52.21 -38.65 58.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 109.286 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.595 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 63.8 t80 -58.71 -48.42 81.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.286 -0.884 . . . . 0.0 109.295 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 12.0 mt-10 -62.28 -33.13 74.04 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.312 -0.867 . . . . 0.0 109.297 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.517 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 3.0 mtp -57.13 -55.85 29.36 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.339 -0.85 . . . . 0.0 108.971 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.587 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 21.6 m-85 -59.6 -34.66 73.03 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.377 -0.827 . . . . 0.0 108.897 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.517 ' HA ' ' ND2' ' B' ' 345' ' ' ASN . 4.3 ttt180 -52.96 -33.71 52.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.483 -0.761 . . . . 0.0 109.139 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.0 tp10 -75.82 -53.77 7.95 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 0.0 110.141 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.779 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.7 mm? -51.17 -59.29 4.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.95 -1.094 . . . . 0.0 109.14 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.517 ' ND2' ' HA ' ' B' ' 342' ' ' ARG . 0.7 OUTLIER -59.11 -23.02 61.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.173 -0.954 . . . . 0.0 109.153 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 2.1 mt-10 -66.86 -43.89 82.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 0.0 109.393 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.724 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -72.08 -48.64 42.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.182 -0.949 . . . . 0.0 109.36 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.79 HD23 ' HB2' ' C' ' 347' ' ' ALA . 84.8 mt -49.72 -46.38 50.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 109.005 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.89 -35.98 81.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.315 -0.866 . . . . 0.0 108.674 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.056 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -65.27 -24.06 67.21 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.298 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.57 ' CA ' HD21 ' C' ' 350' ' ' LEU . 3.6 ttpp -67.83 -42.05 82.07 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -38.11 89.87 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.444 -0.785 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.69 -5.52 48.32 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.305 -0.872 . . . . 0.0 109.461 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.752 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -81.25 -85.04 0.1 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.267 -0.896 . . . . 0.0 109.458 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' B' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.493 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.393 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.21 -162.31 1.53 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -1.168 . . . . 0.0 109.446 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.59 141.25 44.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.175 -0.953 . . . . 0.0 109.508 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 14.3 m-85 -138.93 148.37 43.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.043 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -108.94 139.53 43.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.18 -0.95 . . . . 0.0 109.771 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -121.69 88.54 2.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.339 -0.85 . . . . 0.0 108.887 179.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.714 ' HG2' HG23 ' D' ' 329' ' ' THR . 77.4 mt-30 -82.01 116.55 21.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.221 -0.924 . . . . 0.0 109.813 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.2 152.98 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 109.238 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.37 157.94 15.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 109.322 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 106.7 -126.98 8.68 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 20.2 ttt180 179.08 -49.1 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.17 -1.194 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.2 -55.46 10.55 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 109.452 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.542 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.5 OUTLIER -52.11 -38.57 57.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.17 -0.956 . . . . 0.0 109.201 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.573 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 62.2 t80 -58.79 -48.5 81.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.245 -0.91 . . . . 0.0 109.361 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 12.0 mt-10 -61.92 -33.18 73.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.213 -0.929 . . . . 0.0 109.261 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 3.1 mtp -57.02 -55.23 37.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.312 -0.868 . . . . 0.0 108.946 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' D' ' 344' ' ' LEU . 22.6 m-85 -60.1 -34.29 73.29 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.305 -0.872 . . . . 0.0 108.869 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.503 ' HA ' ' ND2' ' C' ' 345' ' ' ASN . 3.4 ttt180 -53.19 -32.93 50.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.38 -0.825 . . . . 0.0 109.29 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.0 tp10 -76.55 -53.75 7.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.359 -0.838 . . . . 0.0 110.076 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.7 mm? -51.3 -59.66 3.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.907 -1.121 . . . . 0.0 109.172 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.503 ' ND2' ' HA ' ' C' ' 342' ' ' ARG . 0.8 OUTLIER -59.36 -22.34 61.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.134 -0.979 . . . . 0.0 109.272 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' C' ' 343' ' ' GLU . 2.1 mt-10 -67.57 -44.1 79.03 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.287 -0.883 . . . . 0.0 109.325 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.79 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -72.13 -46.0 58.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.27 -0.894 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.724 HD23 ' HB2' ' B' ' 347' ' ' ALA . 84.5 mt -52.69 -46.02 67.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.032 -1.043 . . . . 0.0 108.972 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.68 -35.94 81.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.322 -0.861 . . . . 0.0 108.733 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.056 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -65.5 -23.72 66.96 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.422 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.6 ' CA ' HD21 ' B' ' 350' ' ' LEU . 3.7 ttpp -68.11 -41.69 81.41 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -37.64 88.31 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.487 -0.758 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.09 -5.17 47.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.0 109.595 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.833 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -81.8 -84.86 0.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.231 -0.918 . . . . 0.0 109.479 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' C' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.009 -0.995 . . . . 0.0 109.518 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.09 -162.77 1.63 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.37 -1.076 . . . . 0.0 109.427 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.33 141.27 43.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -0.871 . . . . 0.0 109.393 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 14.2 m-85 -138.89 148.26 43.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.0 109.408 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.043 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -108.84 139.61 43.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -0.938 . . . . 0.0 109.834 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.573 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -121.79 88.47 2.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.314 -0.866 . . . . 0.0 108.911 179.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.719 ' HG2' HG23 ' C' ' 329' ' ' THR . 77.5 mt-30 -81.87 116.43 21.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.29 -0.882 . . . . 0.0 109.789 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.95 152.86 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.273 -0.892 . . . . 0.0 109.426 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.19 157.82 15.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.142 -0.974 . . . . 0.0 109.505 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 106.63 -126.91 8.66 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 19.9 ttt180 179.41 -49.15 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.222 -1.164 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.24 -55.6 10.05 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 0.0 109.433 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.542 ' HD3' HD13 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -51.99 -38.37 56.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.167 -0.958 . . . . 0.0 109.219 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.576 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 62.0 t80 -58.97 -48.59 80.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.27 -0.894 . . . . 0.0 109.323 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 11.8 mt-10 -61.82 -33.14 73.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -0.935 . . . . 0.0 109.172 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.517 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.1 mtp -57.17 -55.32 36.29 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.362 -0.836 . . . . 0.0 109.001 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' C' ' 344' ' ' LEU . 22.1 m-85 -59.92 -34.25 72.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.368 -0.833 . . . . 0.0 108.915 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.504 ' HA ' ' ND2' ' D' ' 345' ' ' ASN . 3.3 ttt180 -53.26 -32.84 50.48 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.334 -0.854 . . . . 0.0 109.303 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.0 tp10 -76.62 -53.63 7.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.341 -0.849 . . . . 0.0 110.073 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.731 ' HB3' HD12 ' A' ' 344' ' ' LEU . 1.5 mm? -51.46 -59.39 4.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.94 -1.1 . . . . 0.0 109.137 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.504 ' ND2' ' HA ' ' D' ' 342' ' ' ARG . 0.8 OUTLIER -59.52 -22.49 61.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.086 -1.009 . . . . 0.0 109.301 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' D' ' 343' ' ' GLU . 2.1 mt-10 -67.23 -43.92 80.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.305 -0.872 . . . . 0.0 109.35 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.782 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.81 -48.38 46.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.212 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.685 HD23 ' HB2' ' A' ' 347' ' ' ALA . 84.6 mt -50.18 -46.75 54.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.922 . . . . 0.0 109.05 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.37 -36.22 81.58 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.011 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -65.03 -24.32 67.45 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.613 ' CA ' HD21 ' A' ' 350' ' ' LEU . 3.8 ttpp -68.0 -41.66 81.92 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -37.5 87.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.422 -0.799 . . . . 0.0 109.274 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.35 -5.52 49.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.376 -0.827 . . . . 0.0 109.579 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.918 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -81.69 -84.48 0.11 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 109.42 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' D' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.559 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.3 175.28 9.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -1.132 . . . . 0.0 109.431 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.598 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 5.4 m-85 -99.79 109.16 21.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.291 -0.881 . . . . 0.0 109.127 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.606 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 33.9 m-85 -108.8 162.76 13.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -0.933 . . . . 0.0 109.11 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.058 HG22 HG22 ' B' ' 329' ' ' THR . 0.3 OUTLIER -124.83 138.01 54.28 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.185 -0.947 . . . . 0.0 109.967 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.769 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -117.94 95.66 5.01 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.244 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.5 mt-30 -88.93 114.22 25.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.179 -0.951 . . . . 0.0 109.104 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 2.6 mp -110.76 128.35 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.402 -0.811 . . . . 0.0 109.535 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.586 ' HG2' ' CZ ' ' B' ' 327' ' ' TYR . 8.5 mtp180 -90.61 97.42 11.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.422 -0.799 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.06 -137.11 4.41 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.27 -51.03 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.261 -1.141 . . . . 0.0 109.298 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.17 -51.68 29.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.151 -0.968 . . . . 0.0 109.289 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.699 ' HD3' HD22 ' B' ' 348' ' ' LEU . 5.8 mtm180 -60.29 -36.63 78.29 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.222 -0.924 . . . . 0.0 108.817 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.781 ' CE1' HD12 ' B' ' 330' ' ' LEU . 88.5 t80 -63.27 -40.96 98.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.334 -0.854 . . . . 0.0 108.836 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 342' ' ' ARG . 1.9 mt-10 -63.59 -34.25 77.41 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 108.78 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.552 ' O ' HD22 ' A' ' 344' ' ' LEU . 15.2 mtp -55.98 -56.57 19.09 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.869 0.843 . . . . 0.0 109.203 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 8.7 m-85 -59.86 -34.16 72.76 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.882 0.848 . . . . 0.0 109.211 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 0.0 OUTLIER -55.96 -39.99 72.56 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.488 0.661 . . . . 0.0 109.272 179.76 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.529 ' HB3' ' HE1' ' C' ' 340' ' ' MET . 0.4 OUTLIER -71.15 -47.64 56.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.364 -0.835 . . . . 0.0 109.772 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.734 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.7 mm? -54.43 -60.64 3.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.94 . . . . 0.0 109.679 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.559 ' HA ' HD12 ' A' ' 348' ' ' LEU . 2.0 p30 -62.4 -19.93 63.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.164 -0.96 . . . . 0.0 109.771 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 7.2 tt0 -68.55 -47.91 65.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.128 -0.983 . . . . 0.0 109.639 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.785 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -69.37 -44.46 71.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.116 -0.99 . . . . 0.0 109.716 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.879 HD23 ' HB2' ' D' ' 347' ' ' ALA . 25.5 mt -54.19 -49.15 70.02 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.51 -31.06 69.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.037 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -69.11 -30.22 68.46 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.638 ' CA ' HD21 ' D' ' 350' ' ' LEU . 3.9 ttmt -58.37 -43.58 88.48 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.76 -23.81 60.87 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.812 -0.555 . . . . 0.0 109.526 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -88.32 -5.34 58.38 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.297 -0.877 . . . . 0.0 110.17 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.667 ' CD ' HD13 ' D' ' 350' ' ' LEU . 10.2 mt-30 -48.47 160.95 0.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.716 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.547 179.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.7 175.39 9.37 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -1.122 . . . . 0.0 109.551 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.586 ' CZ ' ' HG2' ' A' ' 333' ' ' ARG . 5.2 m-85 -100.06 106.92 18.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.582 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 33.7 m-85 -107.55 161.33 14.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.122 -0.986 . . . . 0.0 109.458 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.058 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -122.39 144.65 48.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.19 -0.944 . . . . 0.0 109.634 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.781 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -124.39 87.03 2.65 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.335 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 3.0 mt-30 -80.82 115.2 20.19 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 110.073 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.59 128.07 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.383 -0.823 . . . . 0.0 109.09 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.598 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 8.6 mtp180 -90.6 96.98 10.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 109.434 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.58 -137.0 4.34 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.29 -51.15 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -1.157 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.96 -51.05 35.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.86 . . . . 0.0 109.332 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.649 ' HD3' HD22 ' A' ' 348' ' ' LEU . 6.2 mtm180 -61.15 -36.9 81.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.196 -0.94 . . . . 0.0 108.967 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.769 ' CE1' HD12 ' A' ' 330' ' ' LEU . 88.7 t80 -62.75 -41.4 99.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 0.0 108.947 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 2.0 mt-10 -63.28 -35.16 79.44 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.28 -0.887 . . . . 0.0 108.646 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.529 ' O ' HD22 ' B' ' 344' ' ' LEU . 17.1 mtp -55.95 -57.34 12.51 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 12.8 m-85 -59.49 -31.09 69.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.452 -0.78 . . . . 0.0 109.004 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.0 OUTLIER -59.39 -38.18 79.87 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.31 -0.869 . . . . 0.0 109.5 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.442 ' HB3' ' HE1' ' D' ' 340' ' ' MET . 0.4 OUTLIER -72.21 -47.57 49.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.356 -0.84 . . . . 0.0 109.719 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.77 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.7 mm? -54.4 -61.24 2.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.16 -0.963 . . . . 0.0 109.451 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.565 HD22 HD21 ' A' ' 330' ' ' LEU . 1.5 p30 -61.37 -19.6 62.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 109.8 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 7.5 tt0 -70.15 -48.24 58.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 0.0 109.537 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.858 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -68.21 -45.52 73.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.202 -0.936 . . . . 0.0 109.434 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.903 HD23 ' HB2' ' C' ' 347' ' ' ALA . 25.7 mt -53.58 -49.82 66.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 108.831 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.62 -34.08 70.76 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.057 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -65.11 -32.55 74.31 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.645 ' CA ' HD21 ' C' ' 350' ' ' LEU . 3.9 ttmt -56.86 -42.08 79.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -74.87 -21.74 59.07 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.431 -0.793 . . . . 0.0 109.373 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.6 -5.1 57.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 109.728 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.667 ' CD ' HD13 ' C' ' 350' ' ' LEU . 10.4 mt-30 -48.99 160.79 0.17 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.154 -0.966 . . . . 0.0 109.633 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.483 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.61 175.22 9.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -1.106 . . . . 0.0 109.573 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.579 ' CZ ' ' HG2' ' D' ' 333' ' ' ARG . 5.3 m-85 -99.69 107.09 19.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -0.879 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 33.6 m-85 -107.28 162.34 13.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 109.444 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.045 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -124.13 140.93 52.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.162 -0.961 . . . . 0.0 109.922 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.791 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -121.22 87.59 2.78 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.337 -0.852 . . . . 0.0 108.74 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.1 mt-30 -81.09 115.77 20.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.252 -0.905 . . . . 0.0 109.97 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -112.23 128.71 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 0.0 109.257 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.59 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 8.6 mtp180 -90.93 97.23 11.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.543 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.01 -137.04 4.38 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.02 -51.33 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.312 -1.111 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.72 -51.41 34.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.178 -0.951 . . . . 0.0 109.246 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.693 ' HD3' HD22 ' D' ' 348' ' ' LEU . 6.1 mtm180 -60.9 -36.6 79.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.193 -0.942 . . . . 0.0 108.865 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.793 ' CE1' HD12 ' D' ' 330' ' ' LEU . 88.5 t80 -62.89 -42.07 99.65 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.354 -0.841 . . . . 0.0 108.913 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 2.0 mt-10 -62.63 -35.07 78.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.263 -0.898 . . . . 0.0 108.651 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.53 ' O ' HD22 ' C' ' 344' ' ' LEU . 17.9 mtp -56.07 -56.88 15.49 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.553 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 12.8 m-85 -59.79 -31.28 69.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.0 OUTLIER -59.19 -38.09 79.01 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.341 -0.85 . . . . 0.0 109.466 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.429 ' HB3' ' HE1' ' A' ' 340' ' ' MET . 0.4 OUTLIER -72.34 -47.17 51.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.233 -0.917 . . . . 0.0 109.694 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.7 mm? -54.7 -61.26 2.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.057 -1.027 . . . . 0.0 109.494 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.583 HD22 HD21 ' D' ' 330' ' ' LEU . 1.9 p30 -62.07 -18.9 62.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -0.97 . . . . 0.0 109.859 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 7.7 tt0 -70.51 -48.0 57.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.071 -1.018 . . . . 0.0 109.334 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.903 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -68.43 -44.88 73.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.858 HD23 ' HB2' ' B' ' 347' ' ' ALA . 26.5 mt -54.34 -50.05 68.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 108.914 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.26 -33.91 69.92 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.294 -0.879 . . . . 0.0 108.759 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.057 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -65.16 -32.91 74.83 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.407 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.654 ' CA ' HD21 ' B' ' 350' ' ' LEU . 3.9 ttmt -56.37 -42.06 77.2 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -75.04 -21.44 59.04 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.796 . . . . 0.0 109.391 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.9 -4.87 57.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.697 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.656 ' CD ' HD13 ' B' ' 350' ' ' LEU . 10.5 mt-30 -49.19 160.77 0.2 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.0 109.608 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.456 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.56 175.46 9.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.204 -1.174 . . . . 0.0 109.612 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.59 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 5.4 m-85 -100.05 106.9 18.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 109.297 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 33.3 m-85 -107.1 162.27 14.01 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.159 -0.963 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.045 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -124.07 140.93 52.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.185 -0.947 . . . . 0.0 109.904 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.793 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -121.1 87.66 2.79 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.404 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.2 mt-30 -81.13 115.71 20.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.358 -0.839 . . . . 0.0 109.908 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 2.5 mp -112.09 128.38 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.409 -0.807 . . . . 0.0 109.255 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.579 ' HG2' ' CZ ' ' C' ' 327' ' ' TYR . 8.6 mtp180 -90.74 97.48 11.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.272 -0.892 . . . . 0.0 109.63 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.83 -137.19 4.47 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.77 -51.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -1.113 . . . . 0.0 109.308 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.53 -51.5 35.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.244 -0.91 . . . . 0.0 109.289 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.682 ' HD3' HD22 ' C' ' 348' ' ' LEU . 6.1 mtm180 -60.84 -36.65 79.65 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.116 -0.99 . . . . 0.0 108.866 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' C' ' 330' ' ' LEU . 88.1 t80 -62.98 -41.79 99.66 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.365 -0.835 . . . . 0.0 108.902 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' D' ' 342' ' ' ARG . 1.9 mt-10 -62.79 -35.21 79.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.303 -0.873 . . . . 0.0 108.652 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.496 ' O ' HD22 ' D' ' 344' ' ' LEU . 17.7 mtp -55.91 -57.32 12.56 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.553 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 13.1 m-85 -59.44 -31.09 68.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.489 -0.757 . . . . 0.0 109.003 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.0 OUTLIER -59.36 -37.99 79.28 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.34 -0.85 . . . . 0.0 109.427 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.451 ' HB3' ' HE1' ' B' ' 340' ' ' MET . 0.4 OUTLIER -72.39 -47.64 47.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.332 -0.855 . . . . 0.0 109.625 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.734 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.4 mm? -54.24 -61.49 2.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.0 109.514 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.589 HD22 HD21 ' C' ' 330' ' ' LEU . 1.8 p30 -61.72 -18.79 61.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.159 -0.963 . . . . 0.0 110.002 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 7.6 tt0 -70.35 -48.19 57.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.081 -1.012 . . . . 0.0 109.357 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.879 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -67.99 -45.92 72.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.264 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.785 HD23 ' HB2' ' A' ' 347' ' ' ALA . 26.9 mt -53.39 -50.07 65.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 108.952 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.56 -33.93 70.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 108.649 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.037 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -65.15 -32.74 74.59 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.31 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.678 ' CA ' HD21 ' A' ' 350' ' ' LEU . 3.9 ttmt -56.37 -42.32 77.64 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -74.89 -21.56 59.16 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.615 -0.678 . . . . 0.0 109.359 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.89 -4.76 57.37 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.348 -0.845 . . . . 0.0 109.771 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.706 ' CD ' HD13 ' A' ' 350' ' ' LEU . 12.7 mt-30 -49.7 160.83 0.26 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.103 -0.998 . . . . 0.0 109.715 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.436 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -118.36 -176.31 3.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -1.139 . . . . 0.0 109.352 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.33 109.85 20.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.264 -0.898 . . . . 0.0 109.363 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 59.7 m-85 -106.01 142.54 35.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.901 . . . . 0.0 109.377 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.99 HG22 HG22 ' B' ' 329' ' ' THR . 0.3 OUTLIER -99.86 132.32 45.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -0.943 . . . . 0.0 109.589 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -112.43 94.61 5.01 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.732 ' HG2' HG23 ' B' ' 329' ' ' THR . 37.7 mt-30 -88.43 122.19 31.64 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.161 -0.962 . . . . 0.0 108.935 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.447 HD11 HD21 ' B' ' 345' ' ' ASN . 4.9 mt -124.4 125.39 70.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.325 -0.859 . . . . 0.0 109.602 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 39.5 ttt-85 -85.74 100.04 11.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 109.148 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.39 -132.06 2.23 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -179.07 -49.82 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -1.12 . . . . 0.0 108.86 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.25 -44.15 63.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.778 ' HD2' HD13 ' B' ' 348' ' ' LEU . 17.0 mtm180 -67.16 -38.32 85.28 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.547 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 83.1 t80 -65.95 -32.68 74.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 0.0 108.804 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.23 -40.04 78.18 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.29 -0.881 . . . . 0.0 108.696 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 mtm -59.41 -51.59 69.24 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.784 0.802 . . . . 0.0 109.323 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.67 ' CE1' HD11 ' C' ' 344' ' ' LEU . 5.5 m-85 -62.86 -32.48 73.72 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 121.738 0.78 . . . . 0.0 109.218 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.421 ' HG3' ' CE2' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -65.35 -30.07 70.86 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.36 -50.94 10.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.189 -0.945 . . . . 0.0 109.361 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' C' ' 341' ' ' PHE . 1.0 OUTLIER -55.39 -38.44 68.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.161 -0.962 . . . . 0.0 108.722 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.538 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 3.3 m-20 -76.54 -24.24 53.62 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.489 -0.757 . . . . 0.0 109.291 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -70.27 -38.05 75.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.202 -0.936 . . . . 0.0 109.285 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.525 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -72.21 -44.63 62.65 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.121 -0.987 . . . . 0.0 109.323 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.749 HD13 ' HD2' ' B' ' 337' ' ' ARG . 29.8 mt -56.96 -49.59 75.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 108.586 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.49 -29.78 66.51 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.985 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.1 -31.29 67.59 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.54 ' CA ' HD21 ' D' ' 350' ' ' LEU . 10.7 ttmt -57.88 -39.49 77.96 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -76.78 -25.76 53.73 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.381 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 354' ' ' GLN . . . -85.83 -7.64 58.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.179 -0.95 . . . . 0.0 109.976 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.705 ' NE2' HD13 ' D' ' 350' ' ' LEU . 17.9 mt-30 -42.61 102.75 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.836 . . . . 0.0 109.706 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.475 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.73 -175.86 2.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -1.133 . . . . 0.0 109.41 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.24 109.31 18.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.31 -0.869 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -105.9 142.34 35.77 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.206 -0.934 . . . . 0.0 109.639 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.99 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -98.47 139.25 34.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 0.0 109.218 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.547 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.8 OUTLIER -119.35 83.46 2.04 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.719 ' HG2' HG23 ' A' ' 329' ' ' THR . 36.7 mt-30 -78.35 123.3 26.83 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.282 -0.887 . . . . 0.0 109.91 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.29 125.72 69.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.32 -0.862 . . . . 0.0 108.899 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -86.4 99.71 11.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.161 -0.962 . . . . 0.0 109.186 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.15 -131.32 2.06 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -179.2 -50.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.42 -1.047 . . . . 0.0 108.926 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.5 -43.59 66.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.376 -0.828 . . . . 0.0 108.83 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.749 ' HD2' HD13 ' A' ' 348' ' ' LEU . 18.0 mtm180 -67.86 -39.02 83.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.281 -0.887 . . . . 0.0 108.695 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.575 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 83.6 t80 -65.38 -32.48 74.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 108.795 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.21 -41.28 77.29 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 mtm -59.79 -51.69 68.68 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.41 -0.806 . . . . 0.0 108.906 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' D' ' 344' ' ' LEU . 4.6 m-85 -62.94 -29.15 70.58 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.422 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -68.55 -29.85 68.51 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.01 -50.43 12.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.45 -0.781 . . . . 0.0 109.344 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.652 HD11 ' CE1' ' D' ' 341' ' ' PHE . 1.1 mm? -56.34 -36.63 68.98 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.134 -0.979 . . . . 0.0 108.499 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.496 ' ND2' ' CE2' ' A' ' 341' ' ' PHE . 3.7 m-20 -78.36 -23.63 46.8 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.429 -0.794 . . . . 0.0 109.262 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -70.82 -37.81 73.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.292 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.582 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -72.12 -44.02 63.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.832 . . . . 0.0 109.202 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.778 HD13 ' HD2' ' A' ' 337' ' ' ARG . 29.1 mt -58.34 -49.57 76.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.128 -0.983 . . . . 0.0 108.829 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.43 -31.87 68.15 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.976 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.8 -33.19 74.33 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.344 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.558 ' CA ' HD21 ' C' ' 350' ' ' LEU . 10.7 ttmt -56.7 -37.87 71.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.429 -0.795 . . . . 0.0 108.949 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -79.12 -24.04 43.66 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.41 -0.806 . . . . 0.0 109.203 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' B' ' 354' ' ' GLN . . . -86.93 -7.07 58.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.899 . . . . 0.0 109.511 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.757 ' NE2' HD13 ' C' ' 350' ' ' LEU . 22.7 mt-30 -43.68 103.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.92 . . . . 0.0 109.644 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.494 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.88 -175.89 2.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -1.15 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.14 109.32 18.96 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -0.883 . . . . 0.0 109.333 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -105.64 142.86 34.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.532 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.996 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -99.67 134.45 42.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 0.0 109.697 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.55 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -114.78 86.27 2.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.305 -0.872 . . . . 0.0 108.907 179.569 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.699 ' HG2' HG23 ' D' ' 329' ' ' THR . 35.7 mt-30 -80.55 122.97 27.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.385 -0.822 . . . . 0.0 109.776 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.41 HD11 HD21 ' D' ' 345' ' ' ASN . 4.6 mt -125.48 125.31 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.417 -0.802 . . . . 0.0 109.275 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -85.63 100.04 11.69 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.163 -0.961 . . . . 0.0 109.425 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.49 -131.95 2.26 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -178.39 -50.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.372 -1.075 . . . . 0.0 108.968 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.43 -44.2 65.32 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.243 -0.911 . . . . 0.0 108.747 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.742 ' HD2' HD13 ' D' ' 348' ' ' LEU . 17.1 mtm180 -67.43 -38.67 84.93 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.541 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 83.4 t80 -65.55 -33.09 75.11 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.319 -0.863 . . . . 0.0 108.829 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.47 -40.89 80.83 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.276 -0.89 . . . . 0.0 108.673 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.4 mtm -59.95 -51.51 69.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.806 . . . . 0.0 108.868 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 344' ' ' LEU . 4.6 m-85 -63.03 -28.96 70.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.46 -0.775 . . . . 0.0 109.079 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.419 ' HG3' ' CE2' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -68.82 -29.08 67.34 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.3 -0.875 . . . . 0.0 108.765 179.434 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.73 -50.51 11.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.438 -0.789 . . . . 0.0 109.206 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.67 HD11 ' CE1' ' A' ' 341' ' ' PHE . 1.0 OUTLIER -56.52 -36.71 69.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.18 -0.95 . . . . 0.0 108.582 179.562 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.553 ' ND2' ' CE2' ' D' ' 341' ' ' PHE . 3.4 m-20 -78.33 -23.22 47.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.501 -0.75 . . . . 0.0 109.242 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -72.08 -37.25 69.63 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.265 -0.897 . . . . 0.0 109.237 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.641 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -72.76 -41.05 65.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.259 -0.901 . . . . 0.0 109.156 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.703 HD13 ' HD2' ' D' ' 337' ' ' ARG . 28.5 mt -61.4 -48.79 79.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.982 . . . . 0.0 108.83 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.65 -31.5 68.21 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.976 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -68.37 -32.41 72.48 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.567 ' CA ' HD21 ' B' ' 350' ' ' LEU . 10.7 ttmt -57.33 -37.24 72.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.435 -0.791 . . . . 0.0 108.968 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.53 -24.14 42.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.367 -0.833 . . . . 0.0 109.173 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' C' ' 354' ' ' GLN . . . -86.85 -7.08 58.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.297 -0.877 . . . . 0.0 109.528 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.764 ' NE2' HD13 ' B' ' 350' ' ' LEU . 22.5 mt-30 -43.54 103.19 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 0.0 109.68 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.399 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.75 -175.83 2.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -1.159 . . . . 0.0 109.424 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.29 109.28 18.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.319 -0.863 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.407 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 59.4 m-85 -105.53 142.66 34.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.503 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.996 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -99.62 134.62 42.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.384 -0.823 . . . . 0.0 109.64 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.541 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.8 OUTLIER -114.86 86.1 2.38 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.259 -0.9 . . . . 0.0 108.949 179.57 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.722 ' HG2' HG23 ' C' ' 329' ' ' THR . 35.8 mt-30 -80.32 122.81 27.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 0.0 109.731 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.419 HD11 HD21 ' C' ' 345' ' ' ASN . 4.5 mt -125.02 125.15 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.305 -0.872 . . . . 0.0 109.344 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -85.4 100.25 11.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.094 -1.004 . . . . 0.0 109.535 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.11 -132.2 2.35 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -177.93 -50.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.311 -1.111 . . . . 0.0 108.972 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.29 -44.35 65.38 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.329 -0.857 . . . . 0.0 108.789 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.703 ' HD2' HD13 ' C' ' 348' ' ' LEU . 16.9 mtm180 -67.08 -38.82 86.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.303 -0.873 . . . . 0.0 108.694 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.55 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 83.0 t80 -65.44 -33.33 75.7 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.25 -40.82 81.85 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.3 mtm -60.23 -51.01 71.38 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.368 -0.833 . . . . 0.0 108.93 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' B' ' 344' ' ' LEU . 4.5 m-85 -63.55 -28.5 69.98 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.457 -0.777 . . . . 0.0 109.012 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.408 ' HG3' ' CE2' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -69.09 -29.28 67.34 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.364 -0.835 . . . . 0.0 108.761 179.434 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.47 -50.74 11.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.442 -0.786 . . . . 0.0 109.147 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.652 HD11 ' CE1' ' B' ' 341' ' ' PHE . 0.8 OUTLIER -56.3 -36.88 69.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 108.638 179.569 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.544 ' ND2' ' CE2' ' C' ' 341' ' ' PHE . 3.5 m-20 -78.26 -23.35 47.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.446 -0.784 . . . . 0.0 109.221 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -71.25 -37.75 71.94 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.912 . . . . 0.0 109.23 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.656 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.71 -43.97 64.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.284 -0.885 . . . . 0.0 109.103 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.742 HD13 ' HD2' ' C' ' 337' ' ' ARG . 29.7 mt -58.73 -49.53 77.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 108.865 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.44 -31.78 68.07 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.239 -0.913 . . . . 0.0 108.554 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.985 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -67.88 -33.07 74.02 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.59 ' CA ' HD21 ' A' ' 350' ' ' LEU . 10.6 ttmt -56.84 -37.81 71.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.312 -0.867 . . . . 0.0 108.949 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -79.12 -24.08 43.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 109.196 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -86.96 -6.85 58.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.247 -0.908 . . . . 0.0 109.533 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.845 ' NE2' HD13 ' A' ' 350' ' ' LEU . 28.2 mt-30 -44.22 103.85 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.0 109.678 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.419 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.35 -171.28 3.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.222 -1.164 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -100.56 121.79 42.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.352 -0.842 . . . . 0.0 109.539 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 81.0 m-85 -115.72 161.17 19.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 0.0 109.397 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.148 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -120.82 135.25 55.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.325 -0.86 . . . . 0.0 109.484 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.813 HD21 ' ND2' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -115.84 93.6 4.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.488 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.748 ' HG3' HG23 ' B' ' 329' ' ' THR . 1.0 OUTLIER -89.79 116.52 27.95 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.236 -0.915 . . . . 0.0 109.126 -179.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.536 HD11 HD22 ' A' ' 330' ' ' LEU . 5.9 mt -120.07 142.22 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.485 -0.759 . . . . 0.0 109.565 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -92.14 131.39 37.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.495 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.64 -133.38 6.91 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -173.03 -64.67 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.223 -1.163 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.95 -51.67 55.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.317 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.76 ' HG2' HD13 ' B' ' 348' ' ' LEU . 1.4 mtm180 -57.21 -46.6 82.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.089 -1.007 . . . . 0.0 109.036 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 62.1 t80 -55.65 -29.17 58.81 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.234 -0.916 . . . . 0.0 109.249 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -72.19 -40.02 68.21 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.016 -1.053 . . . . 0.0 109.094 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.456 ' O ' HD23 ' A' ' 344' ' ' LEU . 9.2 mtm -62.59 -42.58 99.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.0 109.683 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.8 ' CE1' HD11 ' C' ' 344' ' ' LEU . 6.3 m-85 -70.42 -34.52 72.6 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.655 0.74 . . . . 0.0 109.499 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 44.2 ttt180 -60.25 -41.69 93.75 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -39.19 61.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.872 . . . . 0.0 109.76 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 1.012 HD12 HD12 ' D' ' 344' ' ' LEU . 0.5 OUTLIER -56.13 -57.52 11.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.153 -0.967 . . . . 0.0 109.159 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.821 ' ND2' HD21 ' B' ' 330' ' ' LEU . 4.6 p30 -66.88 -22.38 65.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 109.979 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 9.1 tt0 -64.88 -41.7 95.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.069 -1.019 . . . . 0.0 109.515 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.885 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -72.75 -48.51 37.83 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.298 -0.876 . . . . 0.0 109.872 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.961 HD23 ' HB2' ' D' ' 347' ' ' ALA . 60.7 mt -51.26 -50.91 58.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.094 -1.004 . . . . 0.0 108.776 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.93 -31.36 70.89 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.215 -0.928 . . . . 0.0 108.555 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.02 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.08 -30.07 70.99 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 120.97 -1.081 . . . . 0.0 108.262 179.285 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 354' ' ' GLN . 17.6 tttt -62.18 -46.42 89.02 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.06 -31.21 68.66 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.932 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -93.46 30.26 1.77 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.236 -0.915 . . . . 0.0 109.883 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.514 ' OE1' ' HG2' ' D' ' 354' ' ' GLN . 0.0 OUTLIER -109.36 80.38 1.31 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.146 -0.971 . . . . 0.0 109.521 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.046 -1.034 . . . . 0.0 109.491 -179.816 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.48 -170.8 3.65 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.183 -1.187 . . . . 0.0 109.519 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -101.11 122.11 43.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.243 -0.91 . . . . 0.0 109.428 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.544 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 80.5 m-85 -117.05 159.57 22.34 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.21 -0.932 . . . . 0.0 109.68 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.148 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.52 143.88 45.63 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.0 109.184 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.821 HD21 ' ND2' ' A' ' 345' ' ' ASN . 0.2 OUTLIER -124.35 82.14 2.01 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.626 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.574 ' HG3' HG23 ' A' ' 329' ' ' THR . 0.9 OUTLIER -79.36 118.51 21.33 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.425 -0.797 . . . . 0.0 110.123 -179.089 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.56 HD11 HD22 ' B' ' 330' ' ' LEU . 6.1 mt -121.82 141.1 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.437 -0.789 . . . . 0.0 109.158 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -91.39 131.51 36.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.219 -0.926 . . . . 0.0 109.431 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.85 -133.56 6.97 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -173.17 -64.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.201 -1.176 . . . . 0.0 109.423 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -51.64 -51.14 58.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.92 . . . . 0.0 109.365 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.728 ' HG2' HD13 ' A' ' 348' ' ' LEU . 1.4 mtm180 -57.51 -48.09 80.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 61.6 t80 -54.44 -28.8 46.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.173 -0.954 . . . . 0.0 109.285 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -72.48 -41.2 66.27 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.228 -0.92 . . . . 0.0 109.092 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.45 ' O ' HD23 ' B' ' 344' ' ' LEU . 11.4 mtm -62.94 -42.72 99.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.327 -0.858 . . . . 0.0 109.104 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.771 ' CE1' HD11 ' D' ' 344' ' ' LEU . 5.2 m-85 -70.33 -31.46 68.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.392 -0.818 . . . . 0.0 109.214 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 46.3 ttt180 -63.43 -40.45 97.2 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.248 -0.908 . . . . 0.0 109.173 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -38.27 58.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.377 -0.827 . . . . 0.0 109.666 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.983 HD12 HD12 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -57.56 -54.97 40.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.139 -0.976 . . . . 0.0 109.135 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.813 ' ND2' HD21 ' A' ' 330' ' ' LEU . 4.1 p30 -68.99 -22.65 64.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 109.81 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 8.9 tt0 -64.99 -42.65 94.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.109 -0.994 . . . . 0.0 109.499 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.899 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -70.99 -50.11 37.87 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.324 -0.86 . . . . 0.0 109.622 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.998 HD23 ' HB2' ' C' ' 347' ' ' ALA . 67.0 mt -50.17 -51.71 41.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.103 -0.998 . . . . 0.0 109.198 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.61 -33.27 72.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.284 -0.885 . . . . 0.0 108.618 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -62.44 -31.66 72.4 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.488 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 17.9 tttt -60.92 -46.09 92.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.477 -0.764 . . . . 0.0 108.968 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -27.91 67.5 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.412 -0.805 . . . . 0.0 109.099 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -95.74 29.04 2.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.304 -0.873 . . . . 0.0 109.401 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.561 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -109.19 82.34 1.58 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.43 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.47 -170.56 3.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.149 -1.206 . . . . 0.0 109.405 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -101.45 121.93 42.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 0.0 109.38 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 79.8 m-85 -115.93 160.8 19.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.199 -0.938 . . . . 0.0 109.511 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.072 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -120.09 138.09 53.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.247 -0.908 . . . . 0.0 109.465 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.825 HD21 ' ND2' ' D' ' 345' ' ' ASN . 0.2 OUTLIER -118.61 84.87 2.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.345 -0.847 . . . . 0.0 108.939 179.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.679 ' HG3' HG23 ' D' ' 329' ' ' THR . 0.9 OUTLIER -81.64 118.4 22.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.267 -0.895 . . . . 0.0 109.973 -179.441 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.562 HD11 HD22 ' C' ' 330' ' ' LEU . 6.1 mt -121.8 141.92 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.363 -0.836 . . . . 0.0 109.137 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -92.01 131.0 37.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.226 -0.921 . . . . 0.0 109.662 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.86 -133.81 7.11 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.69 -64.55 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -1.189 . . . . 0.0 109.388 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.54 -51.0 58.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.759 ' HG2' HD13 ' D' ' 348' ' ' LEU . 1.5 mtm180 -57.9 -47.36 83.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.244 -0.91 . . . . 0.0 109.175 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 62.3 t80 -55.04 -29.29 57.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.278 -0.889 . . . . 0.0 109.327 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -71.72 -41.45 68.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.197 -0.939 . . . . 0.0 109.181 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.406 ' O ' HD23 ' C' ' 344' ' ' LEU . 11.2 mtm -62.72 -42.3 99.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 0.0 109.156 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.761 ' CE1' HD11 ' A' ' 344' ' ' LEU . 5.2 m-85 -70.58 -31.91 69.09 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.366 -0.834 . . . . 0.0 109.21 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 46.1 ttt180 -62.75 -40.61 97.79 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.302 -0.874 . . . . 0.0 109.156 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.83 -38.07 58.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.357 -0.839 . . . . 0.0 109.768 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.983 HD12 HD12 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -57.57 -54.63 44.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.181 -0.949 . . . . 0.0 109.154 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.844 ' ND2' HD21 ' D' ' 330' ' ' LEU . 5.0 p30 -69.58 -22.42 63.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.879 . . . . 0.0 109.853 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 9.0 tt0 -65.04 -42.11 94.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.933 -1.104 . . . . 0.0 109.357 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.998 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -71.5 -49.61 39.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.297 -0.877 . . . . 0.0 109.567 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.889 HD23 ' HB2' ' B' ' 347' ' ' ALA . 66.5 mt -50.8 -51.33 51.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.112 -0.992 . . . . 0.0 109.152 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.75 -33.11 72.43 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.081 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -62.84 -31.07 72.01 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.301 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.472 ' N ' ' HG ' ' C' ' 350' ' ' LEU . 17.9 tttt -61.09 -46.31 91.15 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -27.98 67.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.12 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -95.75 29.46 2.66 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.455 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.644 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -109.7 82.18 1.55 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.289 -0.882 . . . . 0.0 109.473 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.441 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 -170.77 3.62 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.265 -1.138 . . . . 0.0 109.502 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -101.39 122.08 43.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -0.924 . . . . 0.0 109.377 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 79.4 m-85 -116.09 160.83 19.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 0.0 109.499 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.072 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -120.14 138.1 53.78 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.224 -0.923 . . . . 0.0 109.556 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.844 HD21 ' ND2' ' C' ' 345' ' ' ASN . 0.2 OUTLIER -118.59 84.68 2.22 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.334 -0.854 . . . . 0.0 108.982 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.704 ' HG3' HG23 ' C' ' 329' ' ' THR . 0.9 OUTLIER -81.45 118.37 22.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.316 -0.865 . . . . 0.0 109.965 -179.427 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.555 HD11 HD22 ' D' ' 330' ' ' LEU . 6.0 mt -121.63 141.74 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.318 -0.864 . . . . 0.0 109.342 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -91.8 131.68 36.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.956 . . . . 0.0 109.675 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 133.33 -133.85 7.2 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.61 -64.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -1.132 . . . . 0.0 109.418 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -51.66 -51.12 58.37 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.24 -0.912 . . . . 0.0 109.279 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.725 ' HG2' HD13 ' C' ' 348' ' ' LEU . 1.5 mtm180 -57.56 -47.54 81.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.186 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 62.3 t80 -54.8 -29.34 54.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.336 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -71.79 -41.41 68.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.0 109.165 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.3 mtm -62.64 -42.59 99.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -0.884 . . . . 0.0 109.14 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.77 ' CE1' HD11 ' B' ' 344' ' ' LEU . 5.1 m-85 -70.33 -31.52 68.86 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.397 -0.814 . . . . 0.0 109.194 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 45.8 ttt180 -63.28 -40.37 97.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.348 -0.845 . . . . 0.0 109.193 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -38.18 58.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.457 -0.777 . . . . 0.0 109.767 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -57.52 -55.11 39.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 0.0 109.13 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.825 ' ND2' HD21 ' C' ' 330' ' ' LEU . 4.9 p30 -69.07 -22.26 64.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.264 -0.897 . . . . 0.0 109.992 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 8.9 tt0 -65.15 -41.85 94.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.025 -1.047 . . . . 0.0 109.359 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.961 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.54 -50.48 30.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.275 -0.891 . . . . 0.0 109.548 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.866 HD23 ' HB2' ' A' ' 347' ' ' ALA . 67.4 mt -49.88 -51.66 38.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 109.062 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -60.7 -33.38 72.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.342 -0.849 . . . . 0.0 108.725 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.02 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -62.41 -31.29 71.95 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.266 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.484 ' N ' ' HG ' ' D' ' 350' ' ' LEU . 17.9 tttt -61.14 -45.95 92.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.578 -0.701 . . . . 0.0 109.111 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -27.25 67.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.398 -0.814 . . . . 0.0 109.133 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -96.37 29.14 2.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.289 -0.882 . . . . 0.0 109.545 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.728 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -110.02 82.38 1.58 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 0.0 109.384 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.413 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.29 -173.26 3.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.216 -1.167 . . . . 0.0 109.431 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.567 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 2.0 m-85 -100.82 122.39 43.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.929 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 62.2 m-85 -116.16 165.8 12.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.161 -0.962 . . . . 0.0 109.533 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.03 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -134.89 136.15 42.15 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.22 -0.925 . . . . 0.0 109.953 -179.222 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.764 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -114.1 95.31 5.23 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 12.8 tt0 -88.64 110.1 20.66 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.263 -0.898 . . . . 0.0 108.959 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.51 124.06 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.501 -0.749 . . . . 0.0 109.893 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.521 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 4.6 tmm_? -86.23 100.77 12.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 108.625 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.04 -131.05 2.1 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -175.8 -51.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -1.076 . . . . 0.0 109.005 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.25 -45.94 58.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.172 -0.955 . . . . 0.0 108.89 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.636 ' HD3' HD22 ' B' ' 348' ' ' LEU . 43.1 mtm-85 -61.86 -43.19 99.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.264 -0.898 . . . . 0.0 108.747 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.73 ' CE1' HD12 ' B' ' 330' ' ' LEU . 66.0 t80 -59.49 -37.74 79.02 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.274 -0.891 . . . . 0.0 108.776 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 342' ' ' ARG . 0.9 OUTLIER -61.78 -44.65 96.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.248 -0.907 . . . . 0.0 108.826 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.453 ' SD ' ' OE2' ' C' ' 343' ' ' GLU . 10.8 mtp -51.98 -53.02 46.41 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.927 0.87 . . . . 0.0 109.588 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CE1' HD11 ' C' ' 344' ' ' LEU . 5.2 m-85 -62.31 -29.79 70.69 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.931 0.872 . . . . 0.0 109.199 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 339' ' ' GLU . 9.8 mtp180 -62.94 -38.55 91.51 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.463 ' HG2' ' HE1' ' C' ' 340' ' ' MET . 1.1 tt0 -69.32 -48.21 62.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.184 -0.948 . . . . 0.0 109.17 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' C' ' 341' ' ' PHE . 1.2 mm? -60.72 -29.13 69.16 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.538 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.4 t-20 -80.59 -24.2 39.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.12 -42.16 66.37 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.613 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -67.46 -47.68 69.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 109.237 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' D' ' 347' ' ' ALA . 26.3 mt -58.38 -43.92 88.67 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 345' ' ' ASN . 1.8 tt0 -64.0 -26.58 68.63 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.046 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -72.37 -25.82 61.66 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.088 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.527 ' HA ' ' HG3' ' A' ' 354' ' ' GLN . 27.9 tttt -66.89 -43.18 84.12 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -72.67 -22.26 60.95 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.266 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 355' ' ' ALA . . . -92.56 -9.74 40.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 109.91 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.583 ' CD ' HD13 ' D' ' 350' ' ' LEU . 11.0 mt-30 -45.31 98.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.384 -0.823 . . . . 0.0 109.669 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.571 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.25 -173.5 4.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -1.096 . . . . 0.0 109.362 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.521 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 2.0 m-85 -100.57 122.63 43.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 109.561 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 61.3 m-85 -117.56 163.68 16.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.199 -0.938 . . . . 0.0 109.558 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.03 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -131.86 144.26 50.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 109.651 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.73 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -121.3 86.13 2.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 8.5 tt0 -79.21 111.74 15.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.912 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -111.96 123.74 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.517 -0.739 . . . . 0.0 109.389 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 4.5 tmm_? -86.59 98.88 11.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.372 -0.83 . . . . 0.0 109.071 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.31 -130.75 1.98 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -175.02 -51.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.288 -1.125 . . . . 0.0 109.115 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.05 -44.44 63.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.17 -0.956 . . . . 0.0 108.956 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.581 ' HD3' HD22 ' A' ' 348' ' ' LEU . 40.8 mtm-85 -63.13 -44.38 95.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.223 -0.923 . . . . 0.0 108.966 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.764 ' CE1' HD12 ' A' ' 330' ' ' LEU . 65.9 t80 -58.28 -38.55 77.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.233 -0.917 . . . . 0.0 108.767 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' B' ' 342' ' ' ARG . 0.9 OUTLIER -61.17 -46.31 91.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 108.616 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.475 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 12.0 mtp -51.28 -54.25 27.75 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.498 -0.751 . . . . 0.0 108.979 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' D' ' 344' ' ' LEU . 3.9 m-85 -62.1 -26.13 68.11 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' B' ' 339' ' ' GLU . 9.7 mtp180 -66.12 -38.12 87.4 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.444 -0.785 . . . . 0.0 109.031 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.475 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 1.1 tt0 -69.11 -47.86 64.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.827 . . . . 0.0 108.941 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.542 HD12 HD12 ' C' ' 344' ' ' LEU . 1.1 mm? -61.66 -26.48 68.04 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.575 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.4 t-20 -83.8 -22.34 31.85 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.92 -41.53 61.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.466 -0.771 . . . . 0.0 109.017 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.658 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -66.81 -49.18 66.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.413 -0.804 . . . . 0.0 108.913 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.636 HD22 ' HD3' ' A' ' 337' ' ' ARG . 26.0 mt -58.04 -44.08 87.18 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' B' ' 345' ' ' ASN . 1.8 tt0 -63.84 -27.14 68.96 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.032 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -71.23 -27.28 63.36 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.193 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.492 ' HA ' ' HG3' ' B' ' 354' ' ' GLN . 28.1 tttt -65.94 -42.31 90.22 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -73.43 -21.83 60.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.372 -0.83 . . . . 0.0 109.166 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' B' ' 355' ' ' ALA . . . -93.1 -9.48 39.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.606 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.601 ' CD ' HD13 ' C' ' 350' ' ' LEU . 14.0 mt-30 -45.64 99.94 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.273 -0.892 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.571 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.47 -173.8 4.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.245 -1.15 . . . . 0.0 109.411 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.602 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 1.9 m-85 -100.51 122.44 43.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.143 -0.973 . . . . 0.0 109.485 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 60.1 m-85 -116.09 166.37 12.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.971 . . . . 0.0 109.544 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.024 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -135.25 139.25 44.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.227 -0.921 . . . . 0.0 109.954 -179.541 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.786 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -117.08 88.01 2.82 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -80.9 111.84 17.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.762 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.12 124.11 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.311 -0.868 . . . . 0.0 109.563 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.592 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 4.4 tmm_? -86.36 99.28 11.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.271 -0.893 . . . . 0.0 109.273 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.77 -131.46 2.17 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -174.42 -51.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -1.096 . . . . 0.0 109.057 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.49 -45.15 63.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.144 -0.972 . . . . 0.0 108.896 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.629 ' HD3' HD22 ' D' ' 348' ' ' LEU . 40.8 mtm-85 -62.57 -43.79 97.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.261 -0.9 . . . . 0.0 108.878 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' D' ' 330' ' ' LEU . 66.0 t80 -58.71 -38.94 79.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.304 -0.872 . . . . 0.0 108.845 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' C' ' 342' ' ' ARG . 0.9 OUTLIER -60.63 -46.17 91.29 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.296 -0.877 . . . . 0.0 108.688 179.39 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.463 ' HE1' ' HG2' ' A' ' 343' ' ' GLU . 13.0 mtp -51.45 -53.74 33.98 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.348 -0.845 . . . . 0.0 108.969 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 344' ' ' LEU . 4.0 m-85 -62.53 -25.91 68.28 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.422 -0.799 . . . . 0.0 109.008 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' C' ' 339' ' ' GLU . 10.2 mtp180 -66.34 -37.61 85.74 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.382 -0.823 . . . . 0.0 109.049 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.453 ' OE2' ' SD ' ' A' ' 340' ' ' MET . 1.1 tt0 -69.39 -47.75 63.28 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.876 . . . . 0.0 108.918 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 341' ' ' PHE . 1.2 mm? -61.87 -26.55 68.22 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.592 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.5 t-20 -84.09 -21.84 31.35 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.55 -41.45 60.55 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.636 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -67.22 -46.65 73.2 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.425 -0.797 . . . . 0.0 109.143 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.6 HD22 ' HD3' ' D' ' 337' ' ' ARG . 25.2 mt -60.56 -43.33 97.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.131 -0.981 . . . . 0.0 108.442 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' C' ' 345' ' ' ASN . 1.8 tt0 -64.12 -26.88 68.73 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.032 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.4 -26.86 62.94 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.303 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.477 ' HA ' ' HG3' ' C' ' 354' ' ' GLN . 27.9 tttt -66.22 -42.38 88.78 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -73.65 -21.1 60.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.427 -0.796 . . . . 0.0 109.144 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' C' ' 355' ' ' ALA . . . -93.58 -9.21 38.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.312 -0.867 . . . . 0.0 109.461 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.764 ' CD ' HD13 ' B' ' 350' ' ' LEU . 14.0 mt-30 -46.05 100.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 0.0 109.6 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' C' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.383 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.31 -173.52 4.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.345 -1.091 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.592 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 2.0 m-85 -100.91 122.41 43.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 0.0 109.473 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -116.07 165.98 12.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 0.0 109.498 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.024 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -134.85 139.49 45.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.169 -0.957 . . . . 0.0 109.942 -179.647 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.791 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -116.94 88.16 2.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.351 -0.843 . . . . 0.0 108.754 179.448 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 9.1 tt0 -81.08 112.07 18.11 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.26 -0.9 . . . . 0.0 109.725 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.18 123.83 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.334 -0.854 . . . . 0.0 109.48 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.602 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 4.4 tmm_? -86.47 99.48 11.69 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.3 -0.875 . . . . 0.0 109.339 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.46 -131.29 2.15 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -174.25 -52.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -1.127 . . . . 0.0 109.033 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.36 -44.84 64.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.186 -0.946 . . . . 0.0 108.888 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.6 ' HD3' HD22 ' C' ' 348' ' ' LEU . 40.5 mtm-85 -62.92 -43.89 97.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.225 -0.922 . . . . 0.0 108.82 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.786 ' CE1' HD12 ' C' ' 330' ' ' LEU . 66.0 t80 -58.57 -39.0 79.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.232 -0.918 . . . . 0.0 108.785 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' D' ' 342' ' ' ARG . 0.9 OUTLIER -60.71 -46.08 91.75 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.475 ' HE1' ' HG2' ' B' ' 343' ' ' GLU . 13.3 mtp -51.48 -53.95 32.11 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.375 -0.828 . . . . 0.0 108.995 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' B' ' 344' ' ' LEU . 3.9 m-85 -62.24 -25.88 68.06 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' D' ' 339' ' ' GLU . 10.2 mtp180 -66.31 -38.11 86.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.487 -0.758 . . . . 0.0 109.091 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.475 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 1.1 tt0 -69.12 -47.84 64.06 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.323 -0.86 . . . . 0.0 108.974 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' B' ' 341' ' ' PHE . 1.1 mm? -61.73 -26.6 68.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.589 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.5 t-20 -83.86 -21.88 31.86 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.09 -41.46 61.64 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.641 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -66.49 -49.43 66.6 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.362 -0.836 . . . . 0.0 109.037 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.629 HD22 ' HD3' ' C' ' 337' ' ' ARG . 25.7 mt -58.09 -43.85 87.28 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' D' ' 345' ' ' ASN . 1.8 tt0 -64.12 -26.89 68.74 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.046 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -71.24 -27.31 63.37 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.181 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.467 ' HA ' ' HG3' ' D' ' 354' ' ' GLN . 28.8 tttt -66.2 -42.33 88.95 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -73.5 -21.65 60.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.405 -0.809 . . . . 0.0 109.048 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' D' ' 355' ' ' ALA . . . -93.07 -9.1 40.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 109.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.778 ' CD ' HD13 ' A' ' 350' ' ' LEU . 14.8 mt-30 -46.08 100.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.264 -0.897 . . . . 0.0 109.573 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' D' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.496 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.467 ' HB3' ' CE2' ' A' ' 328' ' ' PHE . 2.7 tt0 -117.09 159.9 21.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.272 -1.134 . . . . 0.0 109.4 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -105.58 120.29 41.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.92 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 91.6 m-85 -115.81 142.13 47.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.558 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.138 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -104.7 126.25 51.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.378 -0.826 . . . . 0.0 109.303 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.588 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -107.44 93.91 4.8 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.683 ' HG2' HG23 ' B' ' 329' ' ' THR . 66.2 mt-30 -88.64 109.07 19.81 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.09 -1.006 . . . . 0.0 108.68 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -112.55 140.19 33.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.415 -0.803 . . . . 0.0 109.575 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -94.15 138.63 31.97 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.31 -0.869 . . . . 0.0 109.206 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 134.08 -126.78 4.33 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 35.4 ttm180 177.48 -46.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.356 -1.085 . . . . 0.0 108.805 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.62 -55.41 6.32 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.388 -0.82 . . . . 0.0 108.972 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.725 ' HG2' HD13 ' B' ' 348' ' ' LEU . 1.5 ttm180 -53.59 -47.4 70.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.873 . . . . 0.0 109.108 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.564 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 85.3 t80 -57.0 -32.95 66.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 109.251 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -40.8 76.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 0.0 109.344 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.567 ' O ' HD22 ' A' ' 344' ' ' LEU . 14.2 mtm -53.83 -54.77 33.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.888 . . . . 0.0 109.56 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.581 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 15.3 m-85 -60.66 -38.97 86.64 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.848 0.832 . . . . 0.0 109.302 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 2.2 ttp180 -50.09 -38.33 38.07 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.26 -56.8 4.46 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.471 -0.768 . . . . 0.0 109.947 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.81 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.4 mm? -44.97 -59.43 2.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.106 -0.996 . . . . 0.0 109.898 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.937 ' HA ' HD12 ' A' ' 348' ' ' LEU . 1.9 p30 -62.47 -27.27 69.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 110.15 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 1.2 tp10 -62.76 -44.78 95.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.032 -1.042 . . . . 0.0 109.77 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -72.38 -39.67 67.86 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.146 -0.972 . . . . 0.0 109.78 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 345' ' ' ASN . 20.2 mt -54.75 -51.48 65.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 0.0 108.628 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -61.93 -29.67 70.38 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.973 HD13 ' NE2' ' D' ' 354' ' ' GLN . 0.1 OUTLIER -68.04 -27.75 66.79 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 120.897 -1.127 . . . . 0.0 107.998 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.698 ' CA ' HD21 ' D' ' 350' ' ' LEU . 2.2 ttpt -64.8 -45.43 86.27 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -58.23 -35.73 72.13 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 119.626 -0.83 . . . . 0.0 108.77 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.47 49.62 1.51 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 109.397 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.849 ' NE2' HD13 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -129.15 138.03 51.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.394 -0.816 . . . . 0.0 109.294 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.063 -1.023 . . . . 0.0 109.42 -179.903 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.458 ' HB3' ' CE2' ' B' ' 328' ' ' PHE . 2.8 tt0 -117.09 160.05 21.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.263 -1.139 . . . . 0.0 109.6 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -105.72 120.81 42.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.289 -0.882 . . . . 0.0 109.221 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 338' ' ' PHE . 90.4 m-85 -116.64 141.96 47.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -0.923 . . . . 0.0 109.807 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.138 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -103.17 133.65 47.91 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.0 108.988 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.564 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 1.0 OUTLIER -114.79 82.35 1.71 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.283 -0.885 . . . . 0.0 108.734 179.738 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.619 ' CG ' HG23 ' A' ' 329' ' ' THR . 68.6 mt-30 -78.65 108.28 11.95 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.287 -0.883 . . . . 0.0 109.794 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -111.84 140.36 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.326 -0.859 . . . . 0.0 109.172 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -94.42 138.22 32.63 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.298 -0.876 . . . . 0.0 109.295 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 133.93 -126.26 4.19 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 35.8 ttm180 177.65 -46.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.394 -1.062 . . . . 0.0 109.023 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.38 -54.83 7.37 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.326 -0.859 . . . . 0.0 109.076 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.707 ' HG2' HD13 ' A' ' 348' ' ' LEU . 1.9 ttm180 -53.93 -48.59 70.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.869 . . . . 0.0 109.22 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.588 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 84.3 t80 -55.87 -32.32 63.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.237 -0.915 . . . . 0.0 109.443 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -42.12 71.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.242 -0.911 . . . . 0.0 109.133 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.548 ' O ' HD22 ' B' ' 344' ' ' LEU . 19.5 mtm -53.81 -56.26 19.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 108.842 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.581 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 19.3 m-85 -58.73 -39.05 79.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.34 -0.85 . . . . 0.0 108.963 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.3 ttp180 -50.43 -36.9 35.27 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.509 -0.744 . . . . 0.0 109.448 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' B' ' 344' ' ' LEU . 5.2 tp10 -75.53 -56.41 4.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.42 -0.8 . . . . 0.0 109.96 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.825 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.4 mm? -45.47 -59.2 2.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.196 -0.94 . . . . 0.0 109.651 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.932 ' HA ' HD12 ' B' ' 348' ' ' LEU . 1.6 p30 -61.79 -27.55 68.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.955 . . . . 0.0 109.938 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 1.2 tp10 -63.69 -43.58 96.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.108 -0.995 . . . . 0.0 109.923 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.44 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -73.7 -38.8 64.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.043 -1.036 . . . . 0.0 109.508 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.932 HD12 ' HA ' ' B' ' 345' ' ' ASN . 20.5 mt -55.41 -52.26 64.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.222 -0.924 . . . . 0.0 108.781 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -60.69 -33.94 73.62 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.953 HD13 ' NE2' ' C' ' 354' ' ' GLN . 0.1 OUTLIER -62.39 -31.24 71.88 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 179.369 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.731 ' CA ' HD21 ' C' ' 350' ' ' LEU . 2.2 ttpt -62.74 -46.0 90.08 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.393 -0.817 . . . . 0.0 108.93 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -57.84 -34.25 69.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.414 -0.804 . . . . 0.0 108.979 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.77 48.02 1.33 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.352 -0.843 . . . . 0.0 109.45 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.929 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -128.52 139.78 52.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.371 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.923 -1.036 . . . . 0.0 109.499 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' C' ' 328' ' ' PHE . 2.8 tt0 -117.52 160.22 21.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -1.19 . . . . 0.0 109.52 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -105.97 120.43 41.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.32 -0.862 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.603 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 89.4 m-85 -115.66 142.48 46.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 0.0 109.589 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.968 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -104.75 128.78 52.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 109.363 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 1.0 OUTLIER -109.98 85.57 2.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 0.0 109.262 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.621 ' CG ' HG23 ' D' ' 329' ' ' THR . 68.5 mt-30 -81.47 108.02 14.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.232 -0.917 . . . . 0.0 109.697 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.73 140.97 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.389 -0.82 . . . . 0.0 109.253 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 20.3 ttp180 -94.9 138.34 32.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.157 -0.964 . . . . 0.0 109.523 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 133.45 -126.85 4.47 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 35.6 ttm180 178.66 -45.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -1.143 . . . . 0.0 109.035 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.38 -55.1 6.83 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.359 -0.838 . . . . 0.0 109.066 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.715 ' HG2' HD13 ' D' ' 348' ' ' LEU . 1.8 ttm180 -53.88 -47.72 70.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.256 -0.902 . . . . 0.0 109.209 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.603 ' CZ ' ' HB3' ' D' ' 328' ' ' PHE . 85.2 t80 -56.7 -32.86 65.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 109.41 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -41.97 74.52 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.961 . . . . 0.0 109.218 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.549 ' O ' HD22 ' C' ' 344' ' ' LEU . 20.6 mtm -53.82 -55.67 24.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.215 -0.928 . . . . 0.0 108.95 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 19.7 m-85 -59.15 -39.24 81.81 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.312 -0.867 . . . . 0.0 108.871 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.0 ttp180 -49.97 -36.54 28.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.435 -0.791 . . . . 0.0 109.476 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.14 -56.35 4.73 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.319 -0.863 . . . . 0.0 109.937 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.825 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.4 mm? -45.36 -59.21 2.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.179 -0.951 . . . . 0.0 109.808 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.935 ' HA ' HD12 ' C' ' 348' ' ' LEU . 1.9 p30 -62.39 -27.36 69.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.098 -1.001 . . . . 0.0 110.051 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 1.2 tp10 -63.97 -43.27 96.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.088 -1.007 . . . . 0.0 109.888 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.492 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -74.04 -36.97 64.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.244 -0.91 . . . . 0.0 109.39 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.935 HD12 ' HA ' ' C' ' 345' ' ' ASN . 20.5 mt -57.2 -51.89 67.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.099 -1.0 . . . . 0.0 108.886 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -60.57 -33.63 72.99 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.286 -0.884 . . . . 0.0 108.687 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.934 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -63.02 -30.62 71.75 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.429 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.766 ' CA ' HD21 ' B' ' 350' ' ' LEU . 2.3 ttpt -63.27 -45.86 89.53 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.93 -34.24 69.66 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.376 -0.827 . . . . 0.0 109.021 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.66 48.77 1.4 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.875 . . . . 0.0 109.428 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.953 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -129.37 140.06 51.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.544 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.54 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.453 ' HB3' ' CE2' ' D' ' 328' ' ' PHE . 2.8 tt0 -117.42 159.75 22.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.173 -1.192 . . . . 0.0 109.464 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 6.0 m-85 -105.53 120.49 41.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.306 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.603 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 89.9 m-85 -115.78 142.44 46.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.122 -0.986 . . . . 0.0 109.587 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.968 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -104.68 129.04 52.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 109.336 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.586 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 1.0 OUTLIER -110.32 85.42 2.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 0.0 109.185 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.622 ' CG ' HG23 ' C' ' 329' ' ' THR . 68.5 mt-30 -81.15 107.99 14.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.18 -0.95 . . . . 0.0 109.699 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.6 141.06 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.258 -0.901 . . . . 0.0 109.285 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -94.9 138.51 32.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.924 . . . . 0.0 109.508 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 133.08 -126.89 4.55 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 35.6 ttm180 178.93 -45.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.329 -1.1 . . . . 0.0 108.98 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.4 -55.43 6.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.355 -0.84 . . . . 0.0 109.075 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.711 ' HG2' HD13 ' C' ' 348' ' ' LEU . 1.7 ttm180 -53.6 -47.55 70.07 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.37 -0.831 . . . . 0.0 109.2 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.603 ' CZ ' ' HB3' ' C' ' 328' ' ' PHE . 84.8 t80 -56.76 -33.09 66.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 0.0 109.327 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -42.16 75.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 0.0 109.116 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.489 ' O ' HD22 ' D' ' 344' ' ' LEU . 19.9 mtm -53.57 -56.05 20.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.0 109.032 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 19.3 m-85 -58.74 -39.07 79.84 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.319 -0.863 . . . . 0.0 108.926 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 ttp180 -50.21 -36.65 31.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.85 . . . . 0.0 109.507 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.84 -56.16 4.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.904 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.4 mm? -45.56 -59.02 2.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.175 -0.953 . . . . 0.0 109.892 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.941 ' HA ' HD12 ' D' ' 348' ' ' LEU . 2.0 p30 -62.78 -26.77 68.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.088 -1.008 . . . . 0.0 110.064 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.509 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 1.2 tp10 -63.98 -43.61 95.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.1 -1.0 . . . . 0.0 109.793 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.505 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -73.4 -39.0 65.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.124 -0.985 . . . . 0.0 109.419 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.941 HD12 ' HA ' ' D' ' 345' ' ' ASN . 19.7 mt -55.49 -52.02 65.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.196 -0.94 . . . . 0.0 108.863 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.69 -34.26 74.09 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.288 -0.882 . . . . 0.0 108.67 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.929 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -62.13 -31.11 71.54 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.767 ' CA ' HD21 ' A' ' 350' ' ' LEU . 2.3 ttpt -62.95 -46.54 87.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.446 -0.784 . . . . 0.0 108.906 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.28 -33.87 68.08 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.467 -0.77 . . . . 0.0 108.945 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -93.3 48.28 1.31 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 0.0 109.415 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.973 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -129.35 139.77 51.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.198 -0.939 . . . . 0.0 109.332 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.551 -179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -124.33 -179.71 4.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -1.133 . . . . 0.0 109.443 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.507 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 6.4 m-85 -102.47 108.91 20.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.219 -0.925 . . . . 0.0 109.365 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 54.7 m-85 -98.04 170.58 8.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.163 -0.961 . . . . 0.0 108.865 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.099 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -138.33 130.49 28.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.167 -0.958 . . . . 0.0 110.116 -179.231 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.824 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -110.94 97.34 6.75 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.241 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.533 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.4 mt-30 -86.75 112.2 21.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.155 -0.965 . . . . 0.0 108.834 -179.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -110.36 113.75 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.513 -0.742 . . . . 0.0 109.809 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.493 ' HG2' ' CZ ' ' B' ' 327' ' ' TYR . 37.6 mtm180 -77.19 97.88 4.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.188 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 171.48 -118.6 0.75 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 5.0 ttm180 173.14 -66.12 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.513 -0.992 . . . . 0.0 109.119 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.01 -51.22 70.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.292 -0.88 . . . . 0.0 109.052 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 340' ' ' MET . 8.4 mtm105 -56.12 -40.55 73.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 108.791 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.883 ' CE1' HD12 ' B' ' 330' ' ' LEU . 71.1 t80 -57.94 -40.98 81.8 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.318 -0.864 . . . . 0.0 108.894 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 342' ' ' ARG . 19.7 mt-10 -61.13 -39.77 91.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.137 -0.977 . . . . 0.0 108.674 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 3.1 mtp -53.48 -49.93 66.42 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.991 0.9 . . . . 0.0 109.285 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.632 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.2 m-85 -66.4 -29.41 69.57 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.705 0.764 . . . . 0.0 109.223 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -60.52 -38.15 83.47 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.446 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 49.1 tp10 -70.59 -49.13 51.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.901 . . . . 0.0 108.726 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.72 HD12 HD12 ' D' ' 344' ' ' LEU . 1.1 mm? -59.77 -23.9 63.64 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.54 ' ND2' HD23 ' B' ' 330' ' ' LEU . 1.0 OUTLIER -85.76 -26.25 25.92 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 350' ' ' LEU . 20.7 tp10 -70.5 -42.23 71.59 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.533 -0.729 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.963 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -74.82 -47.28 31.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.28 -0.887 . . . . 0.0 109.736 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.492 HD11 ' CD1' ' D' ' 344' ' ' LEU . 75.0 mt -54.83 -52.21 63.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.091 -1.006 . . . . 0.0 108.759 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.05 -26.32 68.19 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.129 -0.982 . . . . 0.0 108.538 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.038 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.81 -28.05 63.34 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 120.918 -1.114 . . . . 0.0 108.144 179.443 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.735 ' HG3' HD22 ' D' ' 350' ' ' LEU . 6.8 tttt -62.91 -43.61 98.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.47 -34.86 77.67 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -90.01 26.3 1.89 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.345 -0.847 . . . . 0.0 109.577 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.504 ' HG3' HD11 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -117.38 103.74 10.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 0.0 109.777 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.581 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -124.5 -179.25 4.41 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -1.129 . . . . 0.0 109.458 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.493 ' CZ ' ' HG2' ' A' ' 333' ' ' ARG . 6.2 m-85 -103.11 106.86 17.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.532 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 55.5 m-85 -97.42 166.36 11.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.0 109.17 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.099 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -133.19 137.46 46.18 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.328 -0.858 . . . . 0.0 109.94 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.883 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -117.86 88.61 2.95 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.518 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 3.2 mt-30 -77.95 112.93 15.36 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.185 -0.947 . . . . 0.0 109.858 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.86 114.02 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.347 -0.846 . . . . 0.0 109.289 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 38.0 mtm180 -77.49 97.93 5.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.0 109.171 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 171.02 -119.14 0.78 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.588 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 5.0 ttm180 174.1 -66.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.323 -1.104 . . . . 0.0 109.219 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.53 -50.85 72.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.137 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' B' ' 340' ' ' MET . 8.7 mtm105 -56.53 -41.55 76.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.006 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.824 ' CE1' HD12 ' A' ' 330' ' ' LEU . 72.1 t80 -56.78 -41.86 78.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.197 -0.94 . . . . 0.0 108.777 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 17.7 mt-10 -60.41 -41.06 93.12 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.496 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 3.5 mtp -53.24 -50.35 64.96 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.597 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.3 m-85 -66.48 -26.11 67.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.45 -0.781 . . . . 0.0 109.001 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -63.59 -37.45 87.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.352 -0.842 . . . . 0.0 108.953 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.468 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 49.0 tp10 -70.31 -49.07 53.31 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.271 -0.893 . . . . 0.0 108.797 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.723 HD12 HD12 ' C' ' 344' ' ' LEU . 1.2 mm? -60.34 -23.03 63.93 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.582 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.0 OUTLIER -86.62 -25.66 24.81 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' B' ' 350' ' ' LEU . 21.2 tp10 -71.88 -40.79 68.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.422 -0.799 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.958 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -75.97 -46.69 28.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.329 -0.857 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' C' ' 344' ' ' LEU . 79.1 mt -55.65 -52.02 65.26 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.127 -0.983 . . . . 0.0 108.961 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.94 -28.54 69.61 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.023 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -68.74 -29.66 68.11 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.41 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.724 ' HG3' HD22 ' C' ' 350' ' ' LEU . 6.8 tttt -62.26 -41.8 98.77 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.62 -32.26 73.85 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -91.99 25.5 2.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.446 -0.783 . . . . 0.0 109.16 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.438 ' HG3' HD11 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -117.62 104.96 11.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.865 . . . . 0.0 109.667 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.493 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -124.88 -179.09 4.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.266 -1.137 . . . . 0.0 109.402 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.544 ' CZ ' ' HG2' ' D' ' 333' ' ' ARG . 6.3 m-85 -103.31 106.94 17.57 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.237 -0.914 . . . . 0.0 109.51 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 54.9 m-85 -96.59 169.4 9.91 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.22 -0.925 . . . . 0.0 109.155 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.08 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -136.55 133.28 36.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.192 -0.942 . . . . 0.0 109.989 -179.573 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.894 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.49 89.36 3.07 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.344 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.2 mt-30 -78.36 113.27 16.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.839 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -111.5 113.54 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 109.398 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.551 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 37.4 mtm180 -76.89 98.3 4.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.417 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 170.53 -118.8 0.77 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 5.1 ttm180 173.78 -66.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.366 -1.079 . . . . 0.0 109.213 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.13 -51.21 70.98 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.201 -0.937 . . . . 0.0 109.07 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' C' ' 340' ' ' MET . 8.6 mtm105 -56.23 -41.24 75.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.255 -0.903 . . . . 0.0 108.916 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.894 ' CE1' HD12 ' D' ' 330' ' ' LEU . 71.8 t80 -57.06 -42.01 79.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.322 -0.861 . . . . 0.0 108.871 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.423 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 17.8 mt-10 -60.22 -40.78 91.37 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.512 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 3.5 mtp -53.29 -50.28 65.22 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.599 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.3 m-85 -66.42 -26.08 67.05 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.567 -0.708 . . . . 0.0 109.103 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.423 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -63.55 -37.39 87.15 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.434 -0.791 . . . . 0.0 109.006 179.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 49.5 tp10 -70.51 -49.35 49.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 108.747 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.723 HD12 HD12 ' B' ' 344' ' ' LEU . 0.9 OUTLIER -60.01 -22.69 62.92 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.051 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.577 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.0 OUTLIER -87.42 -25.27 23.87 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' C' ' 350' ' ' LEU . 21.5 tp10 -72.19 -40.89 67.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.432 -0.793 . . . . 0.0 109.203 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.912 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -75.88 -45.49 35.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.309 -0.87 . . . . 0.0 109.38 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.54 HD11 ' CD1' ' B' ' 344' ' ' LEU . 80.0 mt -56.95 -51.82 67.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.022 -1.049 . . . . 0.0 108.94 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.79 -28.49 69.49 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.023 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -68.76 -29.86 68.34 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.447 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.734 ' HG3' HD22 ' B' ' 350' ' ' LEU . 6.7 tttt -61.9 -41.89 98.44 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.82 -32.21 73.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.412 -0.805 . . . . 0.0 108.909 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -91.92 25.74 2.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.454 -0.779 . . . . 0.0 109.304 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.454 ' HG3' HD11 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -118.02 105.48 11.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.896 . . . . 0.0 109.594 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.379 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -124.7 -179.42 4.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.291 -1.123 . . . . 0.0 109.482 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.551 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 6.3 m-85 -103.07 107.01 17.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.371 -0.831 . . . . 0.0 109.493 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 54.8 m-85 -96.74 169.11 10.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.925 . . . . 0.0 109.07 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.08 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -136.38 133.06 36.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.114 -0.992 . . . . 0.0 109.97 -179.503 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.894 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.13 89.35 3.07 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.495 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.2 mt-30 -78.43 112.97 16.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.258 -0.901 . . . . 0.0 109.815 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -111.06 113.74 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.326 -0.859 . . . . 0.0 109.399 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.544 ' HG2' ' CZ ' ' C' ' 327' ' ' TYR . 36.6 mtm180 -77.09 98.61 5.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.147 -0.971 . . . . 0.0 109.501 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 170.08 -119.03 0.79 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.588 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 5.1 ttm180 174.21 -66.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -1.098 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.12 -50.95 72.08 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.296 -0.878 . . . . 0.0 109.256 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' D' ' 340' ' ' MET . 8.7 mtm105 -56.44 -41.14 75.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.211 -0.93 . . . . 0.0 108.976 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.894 ' CE1' HD12 ' C' ' 330' ' ' LEU . 72.3 t80 -57.15 -41.95 80.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.3 -0.875 . . . . 0.0 108.817 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' D' ' 342' ' ' ARG . 17.8 mt-10 -60.13 -40.99 91.72 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.496 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.6 mtp -53.14 -50.37 64.67 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.595 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.3 m-85 -66.37 -26.15 67.13 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.549 -0.72 . . . . 0.0 109.072 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -63.47 -37.23 86.49 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.326 -0.859 . . . . 0.0 109.03 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.462 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 49.4 tp10 -70.52 -49.66 45.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.272 -0.892 . . . . 0.0 108.694 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.72 HD12 HD12 ' A' ' 344' ' ' LEU . 0.8 OUTLIER -60.02 -22.67 62.91 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.568 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.0 OUTLIER -87.2 -25.45 24.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' D' ' 350' ' ' LEU . 21.3 tp10 -71.82 -41.11 68.61 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.338 -0.851 . . . . 0.0 109.205 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.974 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -75.37 -47.16 28.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.291 -0.881 . . . . 0.0 109.391 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 344' ' ' LEU . 78.8 mt -55.44 -52.03 64.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.083 -1.01 . . . . 0.0 108.967 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.97 -28.37 69.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.288 -0.883 . . . . 0.0 108.761 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.038 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -69.05 -29.46 67.6 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.407 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.725 ' HG3' HD22 ' A' ' 350' ' ' LEU . 6.8 tttt -62.17 -41.8 98.67 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.87 -31.95 73.42 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.425 -0.797 . . . . 0.0 108.853 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.26 25.42 2.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.352 -0.842 . . . . 0.0 109.322 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.478 ' HG3' HD11 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -118.02 105.49 11.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.253 -0.904 . . . . 0.0 109.619 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.414 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -99.91 -169.51 1.75 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -1.15 . . . . 0.0 109.171 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 5.2 m-85 -115.2 108.61 16.82 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.29 -0.881 . . . . 0.0 109.21 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 44.0 m-85 -97.55 174.43 6.66 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.224 -0.922 . . . . 0.0 108.661 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.129 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -136.9 133.77 36.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.105 -0.997 . . . . 0.0 109.732 -179.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.895 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -114.64 97.15 6.11 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.661 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.703 ' HG2' HG23 ' B' ' 329' ' ' THR . 78.3 mt-30 -88.24 112.05 22.35 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.33 -0.856 . . . . 0.0 108.882 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 338' ' ' PHE . 3.2 mt -107.27 113.77 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.433 -0.792 . . . . 0.0 110.008 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.501 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 9.7 ttp180 -77.96 91.31 4.2 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.238 -0.914 . . . . 0.0 108.765 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.67 -130.9 1.74 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -173.1 -48.62 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.35 -1.088 . . . . 0.0 108.865 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.28 -31.93 55.17 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.268 -0.895 . . . . 0.0 108.913 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.702 ' HD3' HD22 ' B' ' 348' ' ' LEU . 8.2 mtm-85 -72.36 -45.88 57.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.221 -0.925 . . . . 0.0 108.6 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.882 ' CE1' HD12 ' B' ' 330' ' ' LEU . 49.9 t80 -62.06 -30.2 70.82 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.218 -0.926 . . . . 0.0 108.603 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.35 -45.33 66.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.23 -0.919 . . . . 0.0 108.9 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.414 ' SD ' ' CD ' ' C' ' 343' ' ' GLU . 6.4 mtp -49.5 -47.49 48.65 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.994 0.902 . . . . 0.0 109.219 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.564 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.2 m-85 -66.72 -39.29 87.95 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.868 0.842 . . . . 0.0 108.963 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 1.8 ttp85 -50.42 -32.46 17.79 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.27 -60.54 2.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.481 -0.762 . . . . 0.0 109.785 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.693 ' CD1' HD11 ' D' ' 348' ' ' LEU . 1.4 mm? -57.17 -63.19 1.3 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.955 -1.09 . . . . 0.0 108.638 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 21.5 t-20 -44.85 -30.88 1.06 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.586 -0.696 . . . . 0.0 109.342 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 8.0 mm-40 -69.34 -49.09 58.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.169 -0.957 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.642 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -60.69 -44.75 96.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.151 -0.968 . . . . 0.0 109.836 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.676 HD11 ' CD1' ' D' ' 344' ' ' LEU . 60.9 mt -55.75 -51.76 66.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.969 . . . . 0.0 108.54 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.96 -25.56 65.3 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.95 ' CD1' HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -71.58 -31.92 67.49 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.1 -1.0 . . . . 0.0 108.514 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.49 ' HA ' ' HG3' ' A' ' 354' ' ' GLN . 23.0 tttm -63.02 -40.1 96.75 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.96 -25.58 61.92 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.18 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -87.93 -13.7 41.17 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.303 -0.873 . . . . 0.0 109.868 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.581 ' CD ' HD13 ' D' ' 350' ' ' LEU . 6.2 mt-30 -44.01 128.4 5.72 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.374 -0.829 . . . . 0.0 109.851 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.503 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -99.28 -168.71 1.65 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.246 -1.149 . . . . 0.0 109.397 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.501 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 4.9 m-85 -116.12 104.69 11.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.216 -0.927 . . . . 0.0 109.691 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 46.9 m-85 -95.29 169.09 10.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.064 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.129 HG22 HG22 ' A' ' 329' ' ' THR . 0.3 OUTLIER -131.21 140.34 49.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.263 -0.898 . . . . 0.0 109.691 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.882 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -120.34 90.51 3.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.355 -0.841 . . . . 0.0 108.791 179.437 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.611 ' HG2' HG23 ' A' ' 329' ' ' THR . 74.5 mt-30 -82.09 112.01 18.75 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.86 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' B' ' 338' ' ' PHE . 3.2 mt -106.46 114.99 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.329 -0.857 . . . . 0.0 109.527 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.526 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 9.7 ttp180 -79.37 90.38 5.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 0.0 108.976 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.14 -129.68 1.51 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -173.16 -49.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -1.053 . . . . 0.0 108.923 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.0 -31.54 59.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.331 -0.856 . . . . 0.0 109.004 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.612 ' HD3' HD22 ' A' ' 348' ' ' LEU . 6.8 mtm-85 -72.82 -46.37 53.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.363 -0.836 . . . . 0.0 108.946 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.895 ' CE1' HD12 ' A' ' 330' ' ' LEU . 49.9 t80 -61.76 -29.85 70.4 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.68 -47.01 62.07 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.427 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 7.0 mtp -48.89 -48.05 42.67 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.558 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.3 m-85 -66.05 -37.49 85.97 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 1.9 ttp85 -53.17 -28.79 28.16 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 2.4 tt0 -76.41 -63.07 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.459 -0.776 . . . . 0.0 109.102 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.684 ' CD1' HD11 ' C' ' 348' ' ' LEU . 1.7 mm? -54.13 -67.64 0.25 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.044 -1.035 . . . . 0.0 108.283 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 345' ' ' ASN . 21.9 t30 -41.56 -28.04 0.12 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.646 -0.659 . . . . 0.0 109.676 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 7.4 mm-40 -73.21 -48.3 36.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.187 -0.946 . . . . 0.0 109.449 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.639 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -60.89 -45.51 94.33 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.199 -0.938 . . . . 0.0 109.472 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.702 HD22 ' HD3' ' A' ' 337' ' ' ARG . 56.8 mt -55.21 -52.14 64.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.138 -0.976 . . . . 0.0 108.768 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.69 -26.36 65.52 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.282 -0.887 . . . . 0.0 108.697 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.945 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -70.26 -34.02 72.31 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.462 ' HA ' ' HG3' ' B' ' 354' ' ' GLN . 22.6 tttm -61.42 -39.41 90.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.421 -0.799 . . . . 0.0 108.877 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.11 -24.0 60.57 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.415 -0.803 . . . . 0.0 109.189 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.64 -12.28 40.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.317 -0.864 . . . . 0.0 109.417 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.581 ' CD ' HD13 ' C' ' 350' ' ' LEU . 6.9 mt-30 -45.6 129.17 8.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 0.0 109.631 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.424 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.36 -168.42 1.61 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.19 -1.182 . . . . 0.0 109.377 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' D' ' 333' ' ' ARG . 4.8 m-85 -116.57 104.42 11.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.156 -0.965 . . . . 0.0 109.572 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 47.2 m-85 -94.07 171.9 8.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.27 -0.894 . . . . 0.0 109.177 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -134.62 135.84 42.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.115 -0.991 . . . . 0.0 109.81 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.955 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -117.02 91.55 3.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.27 -0.894 . . . . 0.0 109.082 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.657 ' HG2' HG23 ' D' ' 329' ' ' THR . 74.6 mt-30 -82.83 112.37 19.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.375 -0.828 . . . . 0.0 109.61 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' C' ' 338' ' ' PHE . 3.2 mt -107.0 114.71 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.383 -0.823 . . . . 0.0 109.633 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' D' ' 327' ' ' TYR . 10.2 ttp180 -78.51 90.5 4.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.255 -0.903 . . . . 0.0 109.262 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.2 -130.71 1.73 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -171.54 -49.08 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.333 -1.098 . . . . 0.0 109.034 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.14 -31.82 58.79 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.349 -0.845 . . . . 0.0 109.023 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.601 ' HD3' HD22 ' D' ' 348' ' ' LEU . 6.8 mtm-85 -72.69 -46.05 55.69 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.287 -0.883 . . . . 0.0 108.739 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.937 ' CE1' HD12 ' D' ' 330' ' ' LEU . 49.5 t80 -61.99 -30.35 70.88 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.22 -46.87 63.61 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.3 mtp -48.71 -48.18 40.6 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.555 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.3 m-85 -65.99 -37.61 86.39 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 ttp85 -53.0 -27.92 21.49 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 2.3 tt0 -77.53 -62.8 1.54 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.638 ' CD1' HD11 ' B' ' 348' ' ' LEU . 1.5 mm? -54.03 -68.09 0.21 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.064 -1.022 . . . . 0.0 108.308 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' C' ' 345' ' ' ASN . 22.0 t30 -41.14 -29.44 0.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.652 -0.655 . . . . 0.0 109.927 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 7.7 mm-40 -72.15 -48.32 44.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.151 -0.968 . . . . 0.0 109.775 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.636 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -61.44 -42.43 98.75 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.297 -0.877 . . . . 0.0 109.362 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' B' ' 344' ' ' LEU . 60.4 mt -58.14 -51.89 67.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.039 -1.038 . . . . 0.0 108.682 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.5 -26.2 65.09 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.305 -0.872 . . . . 0.0 108.787 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.945 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -70.48 -33.2 70.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.514 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.469 ' HA ' ' HG3' ' C' ' 354' ' ' GLN . 23.0 tttm -62.12 -38.97 90.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.475 -0.766 . . . . 0.0 108.986 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.3 -23.99 60.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.324 -0.86 . . . . 0.0 109.054 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -89.61 -12.77 38.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 0.0 109.472 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.619 ' CD ' HD13 ' B' ' 350' ' ' LEU . 6.8 mt-30 -45.29 129.23 8.08 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.325 -0.859 . . . . 0.0 109.739 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.568 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.5 -168.58 1.63 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -1.121 . . . . 0.0 109.364 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' C' ' 333' ' ' ARG . 4.8 m-85 -116.36 104.88 11.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.139 -0.975 . . . . 0.0 109.657 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 47.8 m-85 -94.55 171.6 8.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -0.924 . . . . 0.0 109.105 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.015 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -134.34 136.22 43.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.221 -0.924 . . . . 0.0 109.834 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.937 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -117.3 91.7 3.65 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.382 -0.824 . . . . 0.0 109.064 179.552 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.664 ' HG2' HG23 ' C' ' 329' ' ' THR . 74.4 mt-30 -82.85 112.61 19.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.249 -0.907 . . . . 0.0 109.629 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' D' ' 338' ' ' PHE . 3.2 mt -107.1 114.59 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.285 -0.885 . . . . 0.0 109.614 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.559 ' HB2' ' CE1' ' C' ' 327' ' ' TYR . 10.0 ttp180 -78.43 90.86 4.45 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.249 -0.907 . . . . 0.0 109.356 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.89 -130.38 1.69 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -171.87 -48.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -1.119 . . . . 0.0 109.08 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.24 -31.63 58.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.419 -0.8 . . . . 0.0 109.075 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.607 ' HD3' HD22 ' C' ' 348' ' ' LEU . 6.9 mtm-85 -72.77 -46.05 55.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.295 -0.878 . . . . 0.0 108.762 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.955 ' CE1' HD12 ' C' ' 330' ' ' LEU . 50.5 t80 -62.03 -30.16 70.77 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.267 -0.896 . . . . 0.0 108.714 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.35 -46.78 63.46 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.245 -0.909 . . . . 0.0 108.689 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.416 ' HE1' ' HG2' ' B' ' 343' ' ' GLU . 7.2 mtp -48.93 -48.44 42.79 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.554 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.3 m-85 -65.6 -37.06 85.55 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 ttp85 -53.72 -28.02 31.63 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.3 tt0 -77.08 -63.05 1.45 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.477 -0.764 . . . . 0.0 109.099 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.676 ' CD1' HD11 ' A' ' 348' ' ' LEU . 1.5 mm? -54.25 -67.45 0.26 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.095 -1.003 . . . . 0.0 108.412 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.46 ' O ' ' OD1' ' D' ' 345' ' ' ASN . 22.9 t30 -41.48 -29.17 0.15 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.585 -0.697 . . . . 0.0 109.738 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 7.6 mm-40 -71.96 -48.54 44.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 109.595 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.645 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -60.77 -45.19 95.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.271 -0.893 . . . . 0.0 109.385 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.693 HD11 ' CD1' ' A' ' 344' ' ' LEU . 61.2 mt -55.6 -52.22 64.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.183 -0.948 . . . . 0.0 108.789 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.6 -26.63 65.61 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.95 HD11 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -69.86 -33.8 72.74 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 23.0 tttm -62.04 -38.68 89.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.477 -0.764 . . . . 0.0 108.956 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.84 -23.97 59.7 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.31 -0.868 . . . . 0.0 109.03 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' D' ' 354' ' ' GLN . . . -89.52 -13.17 37.99 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.332 -0.855 . . . . 0.0 109.491 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.648 ' CD ' HD13 ' A' ' 350' ' ' LEU . 7.7 mt-30 -45.47 129.53 8.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.313 -0.867 . . . . 0.0 109.733 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.391 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -136.43 -171.34 2.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.236 -1.155 . . . . 0.0 109.638 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' B' ' 333' ' ' ARG . 20.2 m-30 -114.37 126.3 54.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.265 -0.897 . . . . 0.0 109.546 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.614 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 74.3 m-85 -122.36 138.59 54.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.349 -0.844 . . . . 0.0 108.99 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.021 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -102.81 131.97 49.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.938 -1.101 . . . . 0.0 109.695 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.422 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.7 OUTLIER -114.54 96.32 5.69 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 54.5 tt0 -89.25 109.97 20.79 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.269 -0.895 . . . . 0.0 109.264 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 6.1 mt -110.01 127.87 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.395 -0.816 . . . . 0.0 109.755 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.544 ' HG2' ' CD1' ' B' ' 327' ' ' TYR . 23.4 mtm105 -89.98 107.02 18.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.315 -0.866 . . . . 0.0 109.008 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 171.98 -114.2 0.52 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 7.2 ttt180 164.08 -39.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.552 -0.969 . . . . 0.0 108.928 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -84.77 -47.21 10.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.993 ' CD ' HD13 ' B' ' 348' ' ' LEU . 2.2 mtm180 -61.51 -38.01 85.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.303 -0.873 . . . . 0.0 109.06 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.618 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 58.3 t80 -62.38 -30.89 71.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 108.93 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.24 -44.71 64.8 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.292 -0.88 . . . . 0.0 109.325 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.7 mtm -54.93 -46.03 74.9 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.485 -0.759 . . . . 0.0 109.655 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.58 ' HE1' HD11 ' C' ' 344' ' ' LEU . 5.1 m-30 -66.94 -38.87 86.94 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.723 0.773 . . . . 0.0 109.899 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 1.8 mtp180 -51.68 -38.66 55.96 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -73.83 -53.21 10.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.421 -0.799 . . . . 0.0 110.002 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.714 HD12 HD12 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -47.14 -60.6 2.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.193 -0.942 . . . . 0.0 109.661 -179.422 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.582 ' HA ' HD12 ' A' ' 348' ' ' LEU . 4.8 p30 -63.71 -22.74 67.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.13 -0.981 . . . . 0.0 109.862 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 343' ' ' GLU . 11.5 tt0 -61.67 -46.28 90.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.941 -1.1 . . . . 0.0 109.67 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.626 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -71.74 -46.59 58.07 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.209 -0.932 . . . . 0.0 109.969 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.958 HD13 ' CD ' ' B' ' 337' ' ' ARG . 50.8 mt -48.64 -50.92 30.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.137 -0.977 . . . . 0.0 108.788 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -35.03 74.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.117 -0.989 . . . . 0.0 108.551 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.035 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -61.59 -30.2 70.52 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.518 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 17.8 tttt -63.43 -45.16 92.23 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -15.19 62.41 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.491 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -101.24 -3.91 28.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.236 -0.915 . . . . 0.0 110.043 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.756 ' CD ' HD13 ' D' ' 350' ' ' LEU . 9.5 mt-30 -50.26 104.14 0.07 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.726 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.604 179.832 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -136.69 -172.36 3.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.237 -1.155 . . . . 0.0 109.646 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 333' ' ' ARG . 20.6 m-30 -113.59 126.56 55.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.618 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 74.1 m-85 -122.86 138.18 54.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.322 -0.861 . . . . 0.0 109.197 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.021 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -101.31 138.1 38.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.973 -1.079 . . . . 0.0 109.37 179.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.419 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -120.63 88.44 2.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 109.091 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 52.4 tt0 -81.39 110.87 17.22 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.242 -0.911 . . . . 0.0 110.084 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -110.89 127.99 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.315 -0.866 . . . . 0.0 109.082 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.585 ' HG2' ' CD1' ' A' ' 327' ' ' TYR . 24.2 mtm105 -90.7 105.79 18.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.335 -0.853 . . . . 0.0 109.212 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' B' ' 335' ' ' ARG . . . 172.88 -112.58 0.44 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' B' ' 334' ' ' GLY . 7.7 ttt180 162.95 -39.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.541 -0.976 . . . . 0.0 108.925 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -84.26 -46.61 11.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 0.0 109.323 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.958 ' CD ' HD13 ' A' ' 348' ' ' LEU . 2.6 mtm180 -61.92 -39.46 92.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.154 -0.966 . . . . 0.0 109.225 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.614 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 58.3 t80 -61.41 -29.76 70.14 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.28 -0.888 . . . . 0.0 109.093 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.59 -45.97 56.54 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.368 -0.832 . . . . 0.0 108.977 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 mtm -54.52 -47.61 72.93 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.266 -0.896 . . . . 0.0 108.965 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.571 ' HE1' HD11 ' D' ' 344' ' ' LEU . 5.2 m-30 -65.15 -38.69 91.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.732 . . . . 0.0 109.44 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 1.5 mtp180 -52.44 -36.63 55.05 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.327 -0.858 . . . . 0.0 109.317 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' B' ' 346' ' ' GLU . 0.4 OUTLIER -75.85 -52.27 10.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.504 -0.747 . . . . 0.0 109.873 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.729 HD12 HD12 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -47.66 -60.64 2.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.118 -0.989 . . . . 0.0 109.512 -179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.573 ' HA ' HD12 ' B' ' 348' ' ' LEU . 4.1 p30 -63.19 -22.34 66.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.21 -0.931 . . . . 0.0 109.8 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.468 ' HB3' ' O ' ' B' ' 343' ' ' GLU . 11.4 tt0 -62.4 -47.18 85.24 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.093 -1.005 . . . . 0.0 109.639 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.628 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -70.52 -48.19 56.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.164 -0.96 . . . . 0.0 109.644 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.993 HD13 ' CD ' ' A' ' 337' ' ' ARG . 57.2 mt -46.83 -51.94 15.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 109.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -36.39 76.96 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.304 -0.873 . . . . 0.0 108.658 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.051 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -59.22 -31.85 69.42 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.35 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.52 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 17.8 tttt -62.15 -44.52 96.43 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.39 -13.97 61.59 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.449 -0.782 . . . . 0.0 109.443 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.31 -3.41 27.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.221 -0.925 . . . . 0.0 109.775 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.732 ' CD ' HD13 ' C' ' 350' ' ' LEU . 10.6 mt-30 -51.01 104.49 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.235 -0.915 . . . . 0.0 109.709 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.005 -0.997 . . . . 0.0 109.482 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -136.46 -171.63 2.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.216 -1.167 . . . . 0.0 109.567 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' D' ' 333' ' ' ARG . 20.4 m-30 -114.1 126.53 55.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.395 -0.815 . . . . 0.0 109.518 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.604 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 75.5 m-85 -122.49 138.32 54.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.36 -0.837 . . . . 0.0 109.146 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.957 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -102.24 133.91 46.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.051 -1.031 . . . . 0.0 109.686 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.443 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.7 OUTLIER -116.96 90.51 3.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.359 -0.838 . . . . 0.0 109.188 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 53.1 tt0 -83.17 111.3 18.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.282 -0.887 . . . . 0.0 109.851 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.33 127.77 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.301 -0.875 . . . . 0.0 109.273 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.57 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 24.8 mtm105 -90.25 106.5 18.53 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.471 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 171.93 -113.04 0.47 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 7.1 ttt180 163.83 -39.9 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.436 -1.037 . . . . 0.0 108.937 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -83.8 -47.25 11.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.365 -0.834 . . . . 0.0 109.336 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.938 ' CD ' HD13 ' D' ' 348' ' ' LEU . 2.5 mtm180 -61.48 -38.98 89.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.314 -0.866 . . . . 0.0 109.262 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.618 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 59.0 t80 -61.67 -30.39 70.7 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.149 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -71.8 -45.41 61.63 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 109.093 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 mtm -55.1 -45.64 75.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.331 -0.855 . . . . 0.0 109.006 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.568 ' HE1' HD11 ' A' ' 344' ' ' LEU . 5.2 m-30 -66.77 -38.64 86.99 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.406 -0.809 . . . . 0.0 109.482 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 mtp180 -52.27 -36.02 51.61 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.315 -0.866 . . . . 0.0 109.375 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -76.59 -52.66 9.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.308 -0.87 . . . . 0.0 109.698 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.729 HD12 HD12 ' B' ' 344' ' ' LEU . 0.5 OUTLIER -47.2 -61.45 1.89 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.315 -0.865 . . . . 0.0 109.424 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.583 ' HA ' HD12 ' C' ' 348' ' ' LEU . 5.0 p30 -63.08 -22.46 66.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.06 -1.025 . . . . 0.0 110.045 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.468 ' HB3' ' O ' ' C' ' 343' ' ' GLU . 11.8 tt0 -62.26 -46.85 86.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.98 -1.075 . . . . 0.0 109.586 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.697 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -70.47 -47.46 60.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.614 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.958 HD13 ' CD ' ' D' ' 337' ' ' ARG . 56.5 mt -47.91 -52.1 20.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.023 -1.048 . . . . 0.0 109.118 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -36.34 76.21 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.051 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -59.61 -31.17 69.24 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.49 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.51 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 18.0 tttt -62.67 -44.27 96.69 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -13.81 61.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.411 -0.806 . . . . 0.0 109.402 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.43 -3.09 27.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 109.741 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.771 ' CD ' HD13 ' B' ' 350' ' ' LEU . 10.8 mt-30 -51.49 104.7 0.09 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.946 . . . . 0.0 109.733 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.506 179.852 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -136.53 -171.49 2.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.216 -1.167 . . . . 0.0 109.583 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' C' ' 333' ' ' ARG . 20.4 m-30 -114.28 126.6 55.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.618 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 76.5 m-85 -122.58 138.43 54.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.279 -0.888 . . . . 0.0 109.118 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.957 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -102.13 134.61 45.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.081 -1.012 . . . . 0.0 109.597 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.431 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.7 OUTLIER -117.66 90.44 3.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.886 . . . . 0.0 109.122 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 53.2 tt0 -82.9 111.13 18.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.327 -0.858 . . . . 0.0 109.86 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.12 127.82 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 0.0 109.349 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.579 ' HG2' ' CD1' ' C' ' 327' ' ' TYR . 24.6 mtm105 -90.28 106.63 18.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 0.0 109.406 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 171.74 -112.87 0.46 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 7.2 ttt180 163.67 -40.11 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.47 -1.018 . . . . 0.0 108.916 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -83.75 -47.16 11.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.241 -0.912 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.958 ' CD ' HD13 ' C' ' 348' ' ' LEU . 2.5 mtm180 -61.53 -38.91 89.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.213 -0.929 . . . . 0.0 109.216 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.604 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 58.6 t80 -61.75 -30.48 70.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.287 -0.883 . . . . 0.0 109.039 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -71.69 -45.54 61.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.37 -0.831 . . . . 0.0 109.07 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.8 mtm -55.05 -45.49 75.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.331 -0.855 . . . . 0.0 109.139 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.571 ' HE1' HD11 ' B' ' 344' ' ' LEU . 5.2 m-30 -66.86 -38.79 87.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.816 . . . . 0.0 109.32 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 1.9 mtp180 -52.18 -35.91 50.27 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.385 -0.822 . . . . 0.0 109.453 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -76.73 -52.1 10.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.303 -0.873 . . . . 0.0 109.632 -179.83 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -47.82 -61.37 1.98 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.91 . . . . 0.0 109.549 -179.646 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.582 ' HA ' HD12 ' D' ' 348' ' ' LEU . 4.9 p30 -63.11 -22.06 66.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.163 -0.96 . . . . 0.0 110.009 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 11.6 tt0 -62.46 -47.04 85.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.084 -1.01 . . . . 0.0 109.468 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.722 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -70.4 -47.74 59.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 109.643 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.938 HD13 ' CD ' ' C' ' 337' ' ' ARG . 57.4 mt -47.48 -51.93 18.83 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.146 -0.971 . . . . 0.0 109.104 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -36.54 77.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 0.0 108.722 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.035 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -59.29 -31.42 69.11 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.385 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.511 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 18.4 tttt -62.59 -44.47 96.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.436 -0.79 . . . . 0.0 108.952 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.31 -14.08 61.65 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.452 -0.78 . . . . 0.0 109.283 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.19 -3.12 27.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 0.0 109.786 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.768 ' CD ' HD13 ' A' ' 350' ' ' LEU . 13.1 mt-30 -51.51 104.61 0.08 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.118 -0.989 . . . . 0.0 109.746 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.491 179.859 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -137.49 -169.43 2.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -1.144 . . . . 0.0 109.397 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.584 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -99.55 111.5 23.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.171 -0.956 . . . . 0.0 109.593 -179.738 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' B' ' 335' ' ' ARG . 52.3 m-85 -104.29 161.86 13.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -0.915 . . . . 0.0 109.495 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.126 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -120.52 132.64 55.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.211 -0.931 . . . . 0.0 109.873 -179.659 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.504 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -113.26 94.76 5.03 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 178.001 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.682 ' HG2' HG23 ' B' ' 329' ' ' THR . 27.3 mt-30 -86.93 119.55 27.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 109.034 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.487 HG12 ' OD1' ' B' ' 345' ' ' ASN . 4.8 mt -126.4 126.4 69.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.423 -0.798 . . . . 0.0 109.626 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.586 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 2.8 mtm105 -79.94 138.5 37.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.256 -0.903 . . . . 0.0 109.064 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 132.91 -131.92 6.35 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.572 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER 178.35 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.439 -1.036 . . . . 0.0 108.902 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -41.45 81.31 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.295 -0.878 . . . . 0.0 108.917 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.412 ' HD3' HD22 ' B' ' 348' ' ' LEU . 30.0 mtm180 -67.31 -39.58 85.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.329 -0.857 . . . . 0.0 108.791 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.503 ' CZ ' ' HG ' ' B' ' 330' ' ' LEU . 53.5 t80 -61.21 -30.79 70.64 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -72.61 -39.11 67.53 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.38 -0.825 . . . . 0.0 109.218 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.466 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 10.1 mtp -57.78 -54.34 48.01 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.93 0.871 . . . . 0.0 109.49 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CE1' HD11 ' C' ' 344' ' ' LEU . 9.5 m-85 -63.14 -36.38 83.44 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.598 0.713 . . . . 0.0 109.465 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -40.02 67.97 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.94 -43.89 82.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.399 -0.813 . . . . 0.0 109.018 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.872 HD12 HD12 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -61.7 -26.97 68.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.169 -0.957 . . . . 0.0 109.118 179.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.458 ' OD1' HG12 ' B' ' 332' ' ' ILE . 1.1 m-80 -84.86 -19.49 32.31 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.184 -0.948 . . . . 0.0 108.935 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -71.83 -45.31 61.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.518 -0.739 . . . . 0.0 109.051 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.691 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -74.11 -48.79 27.22 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.324 -0.86 . . . . 0.0 109.269 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.799 HD23 ' HB2' ' D' ' 347' ' ' ALA . 66.2 mt -52.26 -51.92 55.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 108.804 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -60.15 -31.55 70.2 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.293 -0.879 . . . . 0.0 108.649 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.005 ' CD1' HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -65.38 -31.18 72.15 Favored 'General case' 0 C--N 1.311 -1.095 0 O-C-N 120.959 -1.088 . . . . 0.0 108.397 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.439 ' CA ' HD21 ' D' ' 350' ' ' LEU . 7.1 ttpp -66.06 -40.13 90.66 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.96 -38.08 69.89 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 355' ' ' ALA . . . -81.62 -95.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.414 -0.804 . . . . 0.0 109.31 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.867 ' NE2' HD13 ' D' ' 350' ' ' LEU . 0.7 OUTLIER 44.41 25.72 0.14 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.252 -0.905 . . . . 0.0 109.665 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.478 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -137.34 -169.89 2.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.218 -1.166 . . . . 0.0 109.492 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -99.06 112.2 24.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 109.554 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 52.1 m-85 -105.55 160.65 15.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.199 -0.938 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.126 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.85 141.68 48.15 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 0.0 109.225 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.503 ' HG ' ' CZ ' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -122.37 81.37 1.83 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.538 ' HG2' HG23 ' A' ' 329' ' ' THR . 32.1 mt-30 -74.21 122.34 22.65 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.354 -0.841 . . . . 0.0 110.104 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.458 HG12 ' OD1' ' A' ' 345' ' ' ASN . 4.5 mt -129.14 126.91 65.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.419 -0.801 . . . . 0.0 108.853 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 2.7 mtm105 -81.36 138.07 35.67 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.23 -0.919 . . . . 0.0 109.251 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 132.65 -131.32 6.14 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER 178.48 -50.12 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -1.065 . . . . 0.0 108.907 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -41.31 82.53 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.337 -0.852 . . . . 0.0 109.059 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -67.33 -41.22 85.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.313 -0.867 . . . . 0.0 108.923 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.504 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 52.8 t80 -59.59 -31.0 69.06 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.09 -39.74 65.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.364 -0.835 . . . . 0.0 108.751 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.447 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 10.6 mtp -57.61 -55.33 36.27 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.337 -0.852 . . . . 0.0 108.901 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 344' ' ' LEU . 12.8 m-85 -62.59 -34.71 77.55 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.465 -0.772 . . . . 0.0 109.233 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -41.32 72.92 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.275 -0.891 . . . . 0.0 108.819 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.3 -43.19 91.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.41 -0.806 . . . . 0.0 109.184 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.865 HD12 HD12 ' C' ' 344' ' ' LEU . 0.8 OUTLIER -62.91 -25.32 68.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.283 -0.886 . . . . 0.0 108.877 179.751 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.487 ' OD1' HG12 ' A' ' 332' ' ' ILE . 1.1 m-80 -86.72 -17.96 32.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 108.83 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -73.12 -45.6 55.98 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.721 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -73.41 -49.52 26.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.331 -0.856 . . . . 0.0 109.164 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.778 HD23 ' HB2' ' C' ' 347' ' ' ALA . 58.5 mt -52.05 -51.33 58.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.065 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -60.74 -33.32 72.75 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.279 -0.888 . . . . 0.0 108.776 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.002 ' CD1' HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -63.21 -32.43 73.82 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.449 ' CA ' HD21 ' C' ' 350' ' ' LEU . 7.1 ttpp -65.63 -40.18 92.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.423 -0.798 . . . . 0.0 108.873 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.03 -35.16 66.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.385 -0.822 . . . . 0.0 108.926 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' B' ' 355' ' ' ALA . . . -84.99 -94.05 0.08 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.445 -0.784 . . . . 0.0 109.251 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.892 ' NE2' HD13 ' C' ' 350' ' ' LEU . 1.1 mt-30 42.4 27.2 0.08 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 0.0 109.707 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.533 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -136.98 -169.42 2.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.331 -1.099 . . . . 0.0 109.498 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 0.2 OUTLIER -99.47 111.33 23.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.195 -0.941 . . . . 0.0 109.53 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CZ ' ' HD2' ' D' ' 335' ' ' ARG . 51.8 m-85 -104.05 161.93 13.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.246 -0.909 . . . . 0.0 109.575 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.032 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -120.17 135.67 54.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.209 -0.932 . . . . 0.0 109.773 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.491 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -116.77 84.42 2.14 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.388 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.611 ' HG2' HG23 ' D' ' 329' ' ' THR . 30.6 mt-30 -76.73 122.11 24.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.308 -0.87 . . . . 0.0 109.911 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.46 HG12 ' OD1' ' D' ' 345' ' ' ASN . 4.5 mt -129.22 125.95 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.395 -0.816 . . . . 0.0 109.162 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.565 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 2.7 mtm105 -80.05 137.8 36.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.178 -0.952 . . . . 0.0 109.588 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 132.59 -131.37 6.17 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.498 ' HD2' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER 179.0 -50.82 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.354 -1.086 . . . . 0.0 109.094 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -41.64 84.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 0.0 108.989 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.405 ' HD3' HD22 ' D' ' 348' ' ' LEU . 27.8 mtm180 -67.2 -40.82 86.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.253 -0.904 . . . . 0.0 109.0 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.49 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 53.2 t80 -59.92 -31.43 69.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.232 -0.918 . . . . 0.0 108.695 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.3 -39.82 67.99 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.466 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 11.0 mtp -57.58 -55.08 39.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.455 -0.778 . . . . 0.0 109.021 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' D' ' 344' ' ' LEU . 12.8 m-85 -62.56 -34.62 77.32 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.397 -0.814 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -40.92 72.51 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.249 -0.907 . . . . 0.0 108.898 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.55 -43.19 90.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.284 -0.885 . . . . 0.0 109.05 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.865 HD12 HD12 ' B' ' 344' ' ' LEU . 0.5 OUTLIER -63.21 -25.23 68.24 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.369 -0.832 . . . . 0.0 108.998 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.482 ' OD1' HG12 ' D' ' 332' ' ' ILE . 1.1 m-80 -86.86 -18.46 30.86 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -73.11 -45.7 55.49 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.405 -0.81 . . . . 0.0 108.993 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.778 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -73.16 -48.07 38.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.355 -0.841 . . . . 0.0 109.106 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.721 HD23 ' HB2' ' B' ' 347' ' ' ALA . 59.8 mt -53.71 -51.81 62.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.182 -0.949 . . . . 0.0 108.961 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -60.14 -33.05 71.63 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.237 -0.914 . . . . 0.0 108.677 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.002 HD11 ' CD1' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -63.44 -32.67 74.18 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.525 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.457 ' CA ' HD21 ' B' ' 350' ' ' LEU . 7.2 ttpp -65.36 -40.02 93.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.413 -0.805 . . . . 0.0 108.889 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.14 -35.09 66.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.386 -0.822 . . . . 0.0 108.959 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' C' ' 355' ' ' ALA . . . -85.18 -93.87 0.08 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.372 -0.83 . . . . 0.0 109.27 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.9 ' NE2' HD13 ' B' ' 350' ' ' LEU . 1.1 mt-30 42.45 26.95 0.07 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.0 109.7 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' C' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 118.091 -0.956 . . . . 0.0 109.46 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -137.21 -169.72 2.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.275 -1.132 . . . . 0.0 109.516 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.565 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 0.2 OUTLIER -99.4 111.67 23.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.911 . . . . 0.0 109.519 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.498 ' CZ ' ' HD2' ' C' ' 335' ' ' ARG . 51.5 m-85 -104.51 162.37 13.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.307 -0.871 . . . . 0.0 109.381 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.032 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -120.71 135.77 55.04 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.28 -0.887 . . . . 0.0 109.668 -179.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.49 ' HG ' ' CZ ' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -116.81 84.42 2.14 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 108.675 179.451 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.599 ' HG2' HG23 ' C' ' 329' ' ' THR . 30.5 mt-30 -76.54 122.06 24.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.306 -0.871 . . . . 0.0 109.883 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.482 HG12 ' OD1' ' C' ' 345' ' ' ASN . 4.5 mt -129.29 125.79 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.084 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.55 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 2.7 mtm105 -79.91 137.93 37.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.185 -0.947 . . . . 0.0 109.748 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 132.39 -131.45 6.24 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.512 ' HD2' ' CZ ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER 179.27 -50.77 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.367 -1.078 . . . . 0.0 109.123 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -41.98 84.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.374 -0.829 . . . . 0.0 109.04 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.432 ' HD3' HD22 ' C' ' 348' ' ' LEU . 27.4 mtm180 -66.78 -40.75 88.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.292 -0.88 . . . . 0.0 109.061 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.491 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 53.0 t80 -60.34 -30.93 69.84 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.243 -0.911 . . . . 0.0 108.636 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.68 -39.3 67.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.383 -0.823 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.447 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 10.5 mtp -58.21 -55.1 39.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.359 -0.838 . . . . 0.0 108.949 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' C' ' 344' ' ' LEU . 12.6 m-85 -62.5 -34.4 76.8 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.522 -0.736 . . . . 0.0 109.227 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -40.56 73.15 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.259 -0.901 . . . . 0.0 108.944 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.29 -42.12 88.83 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.425 -0.797 . . . . 0.0 109.192 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.872 HD12 HD12 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -64.07 -25.21 68.0 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 108.931 179.671 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.46 ' OD1' HG12 ' C' ' 332' ' ' ILE . 1.1 m-80 -86.68 -18.08 32.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.244 -0.91 . . . . 0.0 108.819 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.22 -45.73 54.39 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.799 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -72.83 -49.68 28.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.343 -0.848 . . . . 0.0 109.033 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.691 HD23 ' HB2' ' A' ' 347' ' ' ALA . 60.1 mt -51.97 -51.65 55.72 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.261 -0.899 . . . . 0.0 109.071 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -60.61 -33.14 72.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.275 -0.891 . . . . 0.0 108.809 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.005 HD11 ' CD1' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -63.45 -32.2 73.57 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.445 ' CA ' HD21 ' A' ' 350' ' ' LEU . 7.3 ttpp -65.83 -39.84 91.21 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.383 -0.823 . . . . 0.0 108.945 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.4 -34.85 67.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.344 -0.848 . . . . 0.0 108.903 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' D' ' 354' ' ' GLN . . . -85.41 -94.1 0.08 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.37 -0.831 . . . . 0.0 109.333 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.947 ' NE2' HD13 ' A' ' 350' ' ' LEU . 1.2 mt-30 42.03 27.63 0.08 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 109.725 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' D' ' 353' ' ' ALA . . . . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -132.29 -170.91 2.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.313 -1.11 . . . . 0.0 109.504 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -102.56 120.42 40.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 109.567 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.507 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 47.1 m-85 -108.26 140.51 41.4 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.22 -0.925 . . . . 0.0 109.27 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.85 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -99.47 130.22 45.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.88 . . . . 0.0 109.733 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.734 HD21 ' ND2' ' B' ' 345' ' ' ASN . 0.2 OUTLIER -114.4 94.75 4.93 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 10.8 tt0 -89.18 109.38 20.25 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.253 -0.905 . . . . 0.0 108.912 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.06 134.17 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.768 . . . . 0.0 109.623 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -84.18 129.21 34.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 109.224 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 137.4 -126.55 3.67 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 3.8 ttt180 176.42 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.412 -1.052 . . . . 0.0 109.07 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.79 -36.81 50.01 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.328 -0.857 . . . . 0.0 109.127 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.69 ' HD2' HD13 ' B' ' 348' ' ' LEU . 24.4 mtm-85 -70.3 -32.41 70.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.253 -0.904 . . . . 0.0 108.805 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 81.1 t80 -67.15 -32.26 73.24 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.19 -0.944 . . . . 0.0 108.527 179.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 18.6 mt-10 -75.11 -36.42 61.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 0.0 108.737 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.509 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 4.4 mtp -55.07 -51.96 64.7 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 122.054 0.93 . . . . 0.0 109.179 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.735 ' HE1' HD11 ' C' ' 344' ' ' LEU . 10.5 m-30 -65.83 -44.29 86.0 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.481 -0.762 . . . . 0.0 109.269 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.484 ' O ' ' OD1' ' A' ' 345' ' ' ASN . 0.4 OUTLIER -44.22 -33.85 1.69 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.521 ' HG2' ' HE1' ' C' ' 340' ' ' MET . 4.0 tt0 -75.55 -44.13 44.98 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.664 -0.814 . . . . 0.0 108.808 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' D' ' 344' ' ' LEU . 1.1 mm? -57.64 -61.77 2.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.25 -0.906 . . . . 0.0 109.273 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.654 ' ND2' HD21 ' B' ' 330' ' ' LEU . 24.4 p-10 -60.08 -19.15 51.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -0.957 . . . . 0.0 109.22 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 342' ' ' ARG . 0.2 OUTLIER -64.06 -47.59 79.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.052 -1.03 . . . . 0.0 109.548 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.871 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -71.37 -46.11 61.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.269 -0.895 . . . . 0.0 110.003 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 1.01 HD23 ' HB2' ' D' ' 347' ' ' ALA . 58.6 mt -52.59 -47.73 66.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.972 -1.08 . . . . 0.0 108.674 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.39 -32.25 72.18 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.107 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -65.03 -28.71 69.67 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.426 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 23.1 ttpt -65.44 -40.66 93.55 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.75 -38.46 85.23 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.093 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.68 -14.42 59.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.181 -0.949 . . . . 0.0 109.522 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.501 ' OE1' ' HG2' ' D' ' 354' ' ' GLN . 0.0 OUTLIER -69.42 147.17 51.34 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.479 -0.763 . . . . 0.0 109.465 179.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.487 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.62 -170.51 2.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.278 -1.131 . . . . 0.0 109.473 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -103.02 120.65 41.03 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.155 -0.966 . . . . 0.0 109.483 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 46.2 m-85 -108.88 138.98 44.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.331 -0.856 . . . . 0.0 109.533 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.85 HG22 HG22 ' A' ' 329' ' ' THR . 0.1 OUTLIER -96.34 137.88 34.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.0 109.278 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.654 HD21 ' ND2' ' A' ' 345' ' ' ASN . 0.3 OUTLIER -122.04 83.96 2.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.356 -0.84 . . . . 0.0 108.877 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 12.9 tt0 -79.4 109.4 13.72 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.292 -0.88 . . . . 0.0 110.022 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.36 133.82 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.308 -0.87 . . . . 0.0 109.262 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -84.24 129.08 34.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 137.19 -126.43 3.67 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 3.7 ttt180 176.72 -42.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -1.126 . . . . 0.0 109.131 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -77.35 -35.99 54.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.351 -0.843 . . . . 0.0 109.261 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.6 ' HD2' HD13 ' A' ' 348' ' ' LEU . 26.4 mtm-85 -70.92 -34.1 71.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.12 -0.987 . . . . 0.0 109.045 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.496 ' CD1' HD12 ' A' ' 330' ' ' LEU . 81.8 t80 -66.05 -30.88 71.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.921 . . . . 0.0 108.528 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 17.6 mt-10 -76.73 -37.4 56.09 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.528 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 4.1 mtp -54.85 -52.78 61.72 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.692 ' HE1' HD11 ' D' ' 344' ' ' LEU . 11.2 m-30 -65.63 -43.68 88.76 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.415 -0.803 . . . . 0.0 108.863 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.464 ' O ' ' OD1' ' B' ' 345' ' ' ASN . 0.6 OUTLIER -44.51 -31.87 1.24 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.4 -0.812 . . . . 0.0 108.941 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.505 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 4.2 tt0 -77.34 -43.51 32.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.422 -0.799 . . . . 0.0 108.849 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' C' ' 344' ' ' LEU . 1.5 mm? -57.63 -64.18 0.99 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 108.703 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.734 ' ND2' HD21 ' A' ' 330' ' ' LEU . 27.6 p-10 -58.07 -16.63 13.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.447 -0.783 . . . . 0.0 109.45 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 342' ' ' ARG . 0.2 OUTLIER -67.87 -46.63 71.16 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.219 -0.926 . . . . 0.0 109.338 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.968 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -71.55 -46.92 58.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.992 HD23 ' HB2' ' C' ' 347' ' ' ALA . 62.5 mt -51.79 -48.45 63.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.187 -0.946 . . . . 0.0 109.039 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.97 -34.07 74.19 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.28 -0.887 . . . . 0.0 108.649 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.054 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -62.15 -30.77 71.27 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.459 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 23.0 ttpt -63.4 -40.57 97.58 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.23 -37.48 83.19 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.411 -0.806 . . . . 0.0 109.153 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.87 -14.96 59.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.235 -0.915 . . . . 0.0 109.206 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.547 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -69.82 148.76 48.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 0.0 109.474 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 118.118 -0.944 . . . . 0.0 109.499 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.48 -170.55 2.45 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.27 -1.135 . . . . 0.0 109.473 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -102.9 120.64 40.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.212 -0.93 . . . . 0.0 109.445 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 46.1 m-85 -108.56 139.43 43.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.217 -0.927 . . . . 0.0 109.52 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.79 HG22 HG22 ' D' ' 329' ' ' THR . 0.1 OUTLIER -97.47 133.23 42.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.651 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.716 HD21 ' ND2' ' D' ' 345' ' ' ASN . 0.3 OUTLIER -117.84 86.9 2.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.388 -0.82 . . . . 0.0 109.031 179.581 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.7 tt0 -82.01 109.52 16.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.302 -0.874 . . . . 0.0 109.693 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -107.39 134.57 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.884 . . . . 0.0 109.188 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -84.43 128.93 34.86 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.231 -0.918 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 137.13 -126.24 3.62 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' C' ' 334' ' ' GLY . 3.4 ttt180 176.91 -42.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.404 -1.057 . . . . 0.0 109.116 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.99 -36.77 56.17 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.29 -0.881 . . . . 0.0 109.234 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.558 ' HD2' HD13 ' D' ' 348' ' ' LEU . 26.1 mtm-85 -70.35 -33.6 71.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.277 -0.889 . . . . 0.0 108.934 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.446 ' CD1' HD12 ' D' ' 330' ' ' LEU . 80.8 t80 -66.23 -31.58 72.48 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 17.9 mt-10 -76.01 -37.22 58.68 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.521 ' HE1' ' HG2' ' A' ' 343' ' ' GLU . 4.0 mtp -54.75 -52.25 63.11 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.717 ' HE1' HD11 ' A' ' 344' ' ' LEU . 11.1 m-30 -66.0 -43.95 86.22 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.381 -0.825 . . . . 0.0 109.04 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -43.69 -32.3 0.96 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.326 -0.858 . . . . 0.0 108.817 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.477 ' HG2' ' HE1' ' A' ' 340' ' ' MET . 3.9 tt0 -77.04 -43.7 33.57 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' B' ' 344' ' ' LEU . 1.2 mm? -57.49 -64.15 0.99 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.267 -0.896 . . . . 0.0 108.77 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.733 ' ND2' HD21 ' D' ' 330' ' ' LEU . 26.3 p-10 -58.5 -16.46 15.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 109.571 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 0.2 OUTLIER -67.92 -46.64 70.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.165 -0.959 . . . . 0.0 109.252 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.992 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -71.55 -45.34 62.58 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.386 -0.821 . . . . 0.0 109.564 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.968 HD23 ' HB2' ' B' ' 347' ' ' ALA . 66.0 mt -53.71 -48.36 69.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.114 -0.991 . . . . 0.0 109.134 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -60.71 -34.55 74.56 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.054 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -61.87 -30.44 70.86 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.521 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 23.1 ttpt -63.68 -40.05 95.85 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.44 -37.44 83.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.341 -0.849 . . . . 0.0 109.223 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.9 -14.94 59.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.918 . . . . 0.0 109.24 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.605 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -70.1 149.18 47.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 109.456 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 118.037 -0.983 . . . . 0.0 109.347 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -132.4 -170.65 2.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -1.153 . . . . 0.0 109.474 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -103.03 120.6 40.95 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.897 . . . . 0.0 109.492 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 46.6 m-85 -108.58 139.52 43.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.335 -0.853 . . . . 0.0 109.519 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.79 HG22 HG22 ' C' ' 329' ' ' THR . 0.1 OUTLIER -97.66 133.22 42.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.217 -0.927 . . . . 0.0 109.618 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.733 HD21 ' ND2' ' C' ' 345' ' ' ASN . 0.3 OUTLIER -117.79 87.03 2.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.341 -0.849 . . . . 0.0 109.032 179.611 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 12.8 tt0 -82.02 109.18 16.12 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.308 -0.87 . . . . 0.0 109.831 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -106.84 134.65 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -84.58 129.01 34.89 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.875 . . . . 0.0 109.538 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 136.96 -126.57 3.75 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' D' ' 334' ' ' GLY . 3.6 ttt180 177.09 -42.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.408 -1.054 . . . . 0.0 109.101 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -77.34 -36.7 53.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.233 -0.917 . . . . 0.0 109.165 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.547 ' CD ' HD13 ' C' ' 348' ' ' LEU . 26.0 mtm-85 -70.49 -33.38 71.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 108.924 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.446 ' CD1' HD12 ' C' ' 330' ' ' LEU . 80.9 t80 -66.35 -31.75 72.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.218 -0.926 . . . . 0.0 108.623 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 18.2 mt-10 -75.94 -37.12 59.03 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.511 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 3.9 mtp -54.8 -52.24 63.28 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.714 ' HE1' HD11 ' B' ' 344' ' ' LEU . 11.1 m-30 -65.87 -43.94 86.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.459 -0.776 . . . . 0.0 108.985 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -43.95 -31.95 1.01 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.528 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 4.0 tt0 -77.34 -43.38 33.17 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.927 HD12 HD12 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -57.98 -64.01 1.06 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.313 -0.867 . . . . 0.0 108.749 179.488 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.716 ' ND2' HD21 ' C' ' 330' ' ' LEU . 26.1 p-10 -58.5 -16.15 14.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 109.529 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 0.2 OUTLIER -68.03 -46.29 71.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.925 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 1.01 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -71.8 -46.43 58.25 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.265 -0.897 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.871 HD23 ' HB2' ' A' ' 347' ' ' ALA . 66.7 mt -52.58 -48.5 66.17 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.118 -0.989 . . . . 0.0 109.166 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -60.8 -34.6 74.76 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.107 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -61.47 -30.83 70.85 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.368 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 22.8 ttpt -63.72 -40.19 96.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.339 -0.851 . . . . 0.0 108.77 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.51 -37.29 83.17 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.333 -0.854 . . . . 0.0 109.075 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.16 -15.01 59.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.211 -0.931 . . . . 0.0 109.227 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.742 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -70.24 149.13 47.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.186 -0.946 . . . . 0.0 109.504 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.455 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -159.57 -170.63 3.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.167 -1.196 . . . . 0.0 109.619 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -99.37 114.6 27.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.608 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.613 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 84.2 m-85 -110.15 165.19 11.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.072 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.085 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -127.72 132.01 49.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.164 -0.96 . . . . 0.0 109.792 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.1 OUTLIER -112.41 94.41 4.91 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 6.1 tt0 -88.94 116.23 27.07 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.273 -0.892 . . . . 0.0 108.999 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.18 120.38 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.372 -0.83 . . . . 0.0 109.935 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -81.07 90.76 6.02 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 178.68 -151.9 10.85 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -154.55 -46.14 0.09 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.222 -1.164 . . . . 0.0 109.016 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.53 -48.67 31.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.249 -0.907 . . . . 0.0 109.188 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -61.89 -45.4 93.92 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.238 -0.914 . . . . 0.0 108.864 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' B' ' 328' ' ' PHE . 44.7 t80 -58.85 -36.57 74.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.281 -0.887 . . . . 0.0 108.948 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.18 -34.4 76.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.053 -1.03 . . . . 0.0 108.86 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.451 ' O ' HD23 ' A' ' 344' ' ' LEU . 3.6 mtm -59.7 -40.82 89.2 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.903 0.858 . . . . 0.0 109.145 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.666 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.7 m-30 -75.98 -30.78 58.71 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.889 0.852 . . . . 0.0 109.366 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 346' ' ' GLU . 0.0 OUTLIER -59.83 -40.46 88.56 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 346' ' ' GLU . 28.3 tt0 -76.56 -50.9 12.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.155 -0.966 . . . . 0.0 109.464 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.846 HD12 HD12 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -48.6 -60.35 2.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.36 -0.838 . . . . 0.0 109.399 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.52 ' HB3' ' CE2' ' B' ' 341' ' ' PHE . 43.9 p-10 -66.86 -19.29 65.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.848 . . . . 0.0 110.061 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' A' ' 345' ' ' ASN . 2.4 tt0 -65.83 -51.7 56.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.886 -1.134 . . . . 0.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.597 ' HB2' HD23 ' D' ' 348' ' ' LEU . . . -67.15 -38.01 84.77 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.268 -0.895 . . . . 0.0 109.525 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.841 HD23 ' HB2' ' D' ' 347' ' ' ALA . 92.5 mt -56.57 -49.22 75.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.161 -0.962 . . . . 0.0 108.864 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -64.85 -24.89 67.68 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.0 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -70.77 -26.09 63.19 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.268 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.628 ' CA ' HD21 ' D' ' 350' ' ' LEU . 27.9 ttmt -69.06 -45.75 69.56 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.83 -33.1 71.32 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.361 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -82.48 -22.1 35.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 109.813 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.587 ' NE2' HD13 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -64.68 167.29 7.52 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.479 -0.763 . . . . 0.0 109.562 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.093 -1.004 . . . . 0.0 109.539 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -160.33 -171.73 3.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -1.116 . . . . 0.0 109.546 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -98.2 115.35 28.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.419 -0.8 . . . . 0.0 109.7 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 83.6 m-85 -111.71 162.89 14.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.873 . . . . 0.0 109.263 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.085 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -124.51 139.05 54.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.269 -0.894 . . . . 0.0 109.478 179.724 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -118.75 84.13 2.13 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.7 tt0 -79.52 117.24 20.28 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.292 -0.88 . . . . 0.0 109.908 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.55 122.34 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.352 -0.843 . . . . 0.0 109.155 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -83.6 88.17 7.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.348 -0.845 . . . . 0.0 109.079 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.95 -149.81 8.48 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -155.18 -46.34 0.08 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.341 -1.094 . . . . 0.0 109.129 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' B' ' 336' ' ' GLU . 5.9 mm-40 -72.73 -48.48 38.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.152 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -62.27 -46.79 87.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.214 -0.929 . . . . 0.0 109.1 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 45.3 t80 -57.38 -37.29 72.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.245 -0.909 . . . . 0.0 109.002 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -35.94 80.01 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.222 -0.924 . . . . 0.0 108.825 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.471 ' O ' HD23 ' B' ' 344' ' ' LEU . 4.9 mtm -59.37 -41.67 89.84 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.662 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.9 m-30 -75.6 -26.7 58.07 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.55 -0.719 . . . . 0.0 109.09 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' B' ' 346' ' ' GLU . 0.0 OUTLIER -64.23 -37.52 87.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.297 -0.877 . . . . 0.0 109.092 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' B' ' 346' ' ' GLU . 28.9 tt0 -79.04 -50.14 11.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 109.208 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.828 HD12 HD12 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -49.36 -59.13 3.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 0.0 109.224 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' B' ' 346' ' ' GLU . 42.5 p-10 -67.93 -17.88 64.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.418 -0.801 . . . . 0.0 110.006 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' B' ' 345' ' ' ASN . 2.4 tt0 -67.89 -52.21 39.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.962 -1.086 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.663 ' HB2' HD23 ' C' ' 348' ' ' LEU . . . -66.44 -37.75 85.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.199 -0.938 . . . . 0.0 109.34 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.794 HD23 ' HB2' ' C' ' 347' ' ' ALA . 88.5 mt -57.06 -49.55 75.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.161 -0.962 . . . . 0.0 109.125 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.33 -27.53 69.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.254 -0.904 . . . . 0.0 108.649 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.986 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.26 -27.41 67.19 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.292 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.651 ' CA ' HD21 ' C' ' 350' ' ' LEU . 27.9 ttmt -68.84 -44.78 72.69 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.71 -31.62 70.9 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.517 -0.739 . . . . 0.0 109.389 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.51 -22.91 32.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 0.0 109.516 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.711 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -64.9 169.3 5.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.246 -0.909 . . . . 0.0 109.412 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.52 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.389 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -160.42 -171.62 3.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -1.115 . . . . 0.0 109.64 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.429 ' OH ' ' HD2' ' D' ' 333' ' ' ARG . 14.7 m-85 -98.34 115.68 28.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.919 . . . . 0.0 109.65 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 82.3 m-85 -111.22 164.49 12.82 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.944 . . . . 0.0 109.175 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.082 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -126.6 134.67 50.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.129 -0.982 . . . . 0.0 109.787 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.538 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.95 86.36 2.43 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.578 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 4.8 tt0 -81.48 117.55 21.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.878 . . . . 0.0 109.57 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.28 120.65 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.446 ' HD2' ' OH ' ' D' ' 327' ' ' TYR . 3.9 ttt-85 -81.44 89.37 6.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.259 -0.901 . . . . 0.0 109.341 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.29 -151.25 10.02 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -153.89 -46.52 0.09 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -1.139 . . . . 0.0 109.162 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.25 -48.77 40.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.223 -0.923 . . . . 0.0 109.134 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -62.16 -46.27 89.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.401 -0.812 . . . . 0.0 109.088 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.607 ' CE1' ' HB3' ' D' ' 328' ' ' PHE . 44.9 t80 -57.77 -37.81 74.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.284 -0.885 . . . . 0.0 108.978 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 0.7 OUTLIER -66.95 -35.85 80.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.336 -0.852 . . . . 0.0 108.769 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.5 mtm -59.3 -41.62 89.41 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.639 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.8 m-30 -75.55 -26.78 58.27 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.58 -0.7 . . . . 0.0 109.158 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.0 OUTLIER -63.92 -38.13 89.95 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.312 -0.867 . . . . 0.0 109.127 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' C' ' 346' ' ' GLU . 28.1 tt0 -78.3 -50.56 11.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.296 -0.877 . . . . 0.0 109.247 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.828 HD12 HD12 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -48.75 -59.31 3.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.261 -0.899 . . . . 0.0 109.374 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.578 ' HB3' ' CE2' ' D' ' 341' ' ' PHE . 45.7 p-10 -68.52 -17.58 64.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.249 -0.907 . . . . 0.0 110.201 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' C' ' 345' ' ' ASN . 2.5 tt0 -68.02 -51.29 48.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.003 -1.06 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.794 ' HB2' HD23 ' B' ' 348' ' ' LEU . . . -67.1 -36.11 81.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.325 -0.859 . . . . 0.0 109.386 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' B' ' 347' ' ' ALA . 88.1 mt -59.04 -49.55 77.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.922 . . . . 0.0 109.145 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.96 -27.65 69.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.274 -0.891 . . . . 0.0 108.755 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.986 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -67.27 -27.4 67.16 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.693 ' CA ' HD21 ' B' ' 350' ' ' LEU . 27.4 ttmt -69.02 -43.9 73.82 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.443 -0.785 . . . . 0.0 108.899 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.5 -31.29 71.28 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.446 -0.784 . . . . 0.0 109.38 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.7 -22.96 31.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.473 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.845 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -64.88 169.4 5.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 0.0 109.524 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.525 -179.912 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -160.07 -171.98 3.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.202 -1.175 . . . . 0.0 109.628 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.446 ' OH ' ' HD2' ' C' ' 333' ' ' ARG . 14.7 m-85 -98.13 115.55 28.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 109.593 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.607 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 82.4 m-85 -111.19 164.36 12.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.29 -0.881 . . . . 0.0 109.141 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.082 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -126.53 134.68 50.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.191 -0.943 . . . . 0.0 109.706 -179.773 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.526 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.97 86.06 2.38 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.7 tt0 -81.11 117.48 21.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.707 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.08 120.7 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.351 -0.843 . . . . 0.0 109.554 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.429 ' HD2' ' OH ' ' C' ' 327' ' ' TYR . 4.1 ttt-85 -81.69 89.65 6.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.238 -0.914 . . . . 0.0 109.37 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.12 -151.12 9.95 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -153.75 -46.89 0.09 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.324 -1.104 . . . . 0.0 109.12 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.13 -48.86 40.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 0.0 109.11 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -62.02 -46.34 89.63 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.235 -0.915 . . . . 0.0 109.136 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' C' ' 328' ' ' PHE . 45.0 t80 -57.65 -37.62 73.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.262 -0.899 . . . . 0.0 108.972 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -35.63 80.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.24 -0.913 . . . . 0.0 108.83 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.7 mtm -59.65 -41.63 90.98 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.655 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.8 m-30 -75.47 -26.82 58.52 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 0.0 OUTLIER -63.97 -38.0 89.49 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.303 -0.873 . . . . 0.0 109.179 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' D' ' 346' ' ' GLU . 28.5 tt0 -78.46 -50.27 11.95 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.404 -0.81 . . . . 0.0 109.234 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.846 HD12 HD12 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -49.06 -59.51 3.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 0.0 109.298 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.58 ' HB3' ' CE2' ' C' ' 341' ' ' PHE . 45.6 p-10 -68.17 -17.41 64.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.222 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.51 ' N ' ' OD1' ' D' ' 345' ' ' ASN . 2.4 tt0 -67.81 -51.76 44.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.954 -1.091 . . . . 0.0 109.268 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.841 ' HB2' HD23 ' A' ' 348' ' ' LEU . . . -66.74 -37.4 84.57 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.296 -0.877 . . . . 0.0 109.353 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.644 HD11 HD13 ' A' ' 344' ' ' LEU . 88.4 mt -57.69 -49.6 75.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.191 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.02 -28.04 69.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.262 -0.899 . . . . 0.0 108.639 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.0 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -66.94 -27.47 67.5 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.692 ' CA ' HD21 ' A' ' 350' ' ' LEU . 27.2 ttmt -69.26 -43.83 73.13 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.434 -0.791 . . . . 0.0 108.888 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.52 -31.17 71.17 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.564 -0.71 . . . . 0.0 109.199 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.78 -23.35 31.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.366 -0.834 . . . . 0.0 109.453 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.959 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -64.73 169.51 4.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.135 -0.978 . . . . 0.0 109.498 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.498 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.73 -175.63 5.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.22 -1.165 . . . . 0.0 109.517 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -99.55 118.0 35.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.269 -0.894 . . . . 0.0 109.56 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.603 ' HB3' ' CD1' ' B' ' 338' ' ' PHE . 84.0 m-85 -112.72 160.92 17.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.151 -0.968 . . . . 0.0 109.194 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.104 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -137.36 132.62 33.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.186 -0.946 . . . . 0.0 110.151 -178.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.859 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -108.97 96.99 6.7 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.176 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.776 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.7 OUTLIER -88.17 108.82 19.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.137 -0.977 . . . . 0.0 108.459 -179.581 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.572 HD11 HD23 ' A' ' 330' ' ' LEU . 2.9 mt -113.77 115.56 50.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.495 -0.753 . . . . 0.0 109.677 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -79.44 99.17 7.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.966 . . . . 0.0 108.674 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 176.08 -128.23 1.34 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 334' ' ' GLY . 19.9 ttt180 179.74 -54.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.409 -1.054 . . . . 0.0 109.128 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 26.0 pt-20 -70.81 -45.84 63.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.231 -0.918 . . . . 0.0 109.232 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.895 ' HD3' HD22 ' B' ' 348' ' ' LEU . 8.0 mtm105 -64.04 -44.21 93.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.248 -0.908 . . . . 0.0 108.756 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.892 ' CE1' HD12 ' B' ' 330' ' ' LEU . 61.1 t80 -59.04 -32.36 69.68 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 342' ' ' ARG . 1.5 mt-10 -67.18 -43.0 83.27 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.167 -0.958 . . . . 0.0 108.545 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.42 ' SD ' ' OE2' ' C' ' 343' ' ' GLU . 4.0 mtp -48.79 -50.09 35.74 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.069 0.938 . . . . 0.0 108.819 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -65.42 -35.07 79.84 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.854 0.835 . . . . 0.0 109.173 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -56.45 -31.73 64.25 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.517 ' HG2' ' HE1' ' C' ' 340' ' ' MET . 0.9 OUTLIER -73.98 -60.96 2.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.753 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.516 ' HG ' ' HG ' ' D' ' 344' ' ' LEU . 1.5 mm? -54.85 -61.89 2.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.014 -1.054 . . . . 0.0 108.492 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.489 ' ND2' HD23 ' B' ' 330' ' ' LEU . 11.1 t-20 -44.38 -31.65 1.12 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.641 -0.662 . . . . 0.0 109.268 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 343' ' ' GLU . 0.9 OUTLIER -69.48 -49.14 57.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.226 -0.921 . . . . 0.0 110.175 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.483 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -61.52 -39.93 92.82 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.112 -0.992 . . . . 0.0 109.695 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.836 HD22 ' HD3' ' B' ' 337' ' ' ARG . 60.7 mt -60.03 -51.41 69.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -59.05 -25.74 63.99 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.034 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -74.43 -31.87 62.44 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 120.967 -1.083 . . . . 0.0 108.36 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.599 ' CA ' HD21 ' D' ' 350' ' ' LEU . 7.7 ttmt -60.07 -38.39 82.73 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -30.39 65.83 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -100.81 53.28 0.86 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.462 -0.774 . . . . 0.0 109.763 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.787 ' CD ' HD13 ' D' ' 350' ' ' LEU . 11.1 mt-30 -96.92 87.31 4.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 109.55 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.568 -179.893 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.95 -177.29 6.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.189 -1.183 . . . . 0.0 109.537 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -97.86 118.93 35.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.389 -0.819 . . . . 0.0 109.551 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.576 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 83.4 m-85 -114.58 158.9 21.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -0.897 . . . . 0.0 109.312 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.104 HG22 HG22 ' A' ' 329' ' ' THR . 0.3 OUTLIER -134.82 138.13 43.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 109.991 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.892 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -113.87 89.55 3.12 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.016 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.704 ' HG2' HG23 ' A' ' 329' ' ' THR . 0.9 OUTLIER -80.91 106.95 13.31 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.278 -0.889 . . . . 0.0 109.668 -179.378 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.464 HD11 HD23 ' B' ' 330' ' ' LEU . 2.8 mp -111.47 118.3 57.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.391 -0.818 . . . . 0.0 109.095 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -83.03 96.6 8.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 108.86 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 177.75 -127.39 1.18 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' B' ' 334' ' ' GLY . 21.1 ttt180 -179.72 -54.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.322 -1.105 . . . . 0.0 109.204 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 26.0 pt-20 -69.77 -45.53 67.82 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.253 -0.904 . . . . 0.0 109.203 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.836 ' HD3' HD22 ' A' ' 348' ' ' LEU . 8.0 mtm105 -64.6 -44.97 88.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.279 -0.888 . . . . 0.0 109.047 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.859 ' CE1' HD12 ' A' ' 330' ' ' LEU . 61.1 t80 -58.22 -32.37 68.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.199 -0.938 . . . . 0.0 108.634 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 342' ' ' ARG . 1.4 mt-10 -67.23 -44.26 79.94 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.526 ' HE1' ' HG2' ' D' ' 343' ' ' GLU . 4.4 mtp -48.87 -50.39 35.03 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -65.35 -31.92 73.29 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -60.59 -27.76 67.97 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.514 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.516 ' HG2' ' HE1' ' D' ' 340' ' ' MET . 0.8 OUTLIER -76.12 -63.42 1.32 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.446 -0.784 . . . . 0.0 109.074 179.583 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.581 ' H ' HD22 ' B' ' 344' ' ' LEU . 1.7 mm? -51.95 -65.58 0.53 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.085 -1.009 . . . . 0.0 108.287 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.592 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 8.8 t-20 -40.65 -31.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.596 -0.69 . . . . 0.0 109.615 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' B' ' 343' ' ' GLU . 0.9 OUTLIER -71.42 -49.07 45.42 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.34 -0.85 . . . . 0.0 109.803 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.506 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -61.16 -39.32 89.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.146 -0.971 . . . . 0.0 109.611 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.895 HD22 ' HD3' ' A' ' 337' ' ' ARG . 55.9 mt -61.81 -50.75 71.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.894 . . . . 0.0 108.67 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.23 -27.18 65.51 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.017 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -72.29 -34.49 68.21 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.624 ' CA ' HD21 ' C' ' 350' ' ' LEU . 7.7 ttmt -58.17 -38.12 76.05 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -28.9 63.71 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.08 53.11 0.81 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.452 -0.78 . . . . 0.0 109.493 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.787 ' CD ' HD13 ' C' ' 350' ' ' LEU . 13.4 mt-30 -96.62 88.09 4.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -0.93 . . . . 0.0 109.527 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.548 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -153.6 -175.94 5.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -1.133 . . . . 0.0 109.563 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -99.5 119.26 37.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.595 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 82.2 m-85 -114.16 159.9 19.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.18 -0.95 . . . . 0.0 109.171 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.064 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -136.24 135.49 39.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.098 -1.001 . . . . 0.0 110.171 -179.226 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.917 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -111.67 90.29 3.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.326 -0.859 . . . . 0.0 108.903 179.142 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.689 ' HG2' HG23 ' D' ' 329' ' ' THR . 0.9 OUTLIER -81.35 107.59 14.26 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.242 -0.911 . . . . 0.0 109.599 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.503 HD11 HD23 ' C' ' 330' ' ' LEU . 2.8 mp -112.58 116.76 53.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.432 -0.792 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -80.92 97.33 7.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.169 -0.957 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.42 -128.15 1.32 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -178.67 -53.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.22 -1.165 . . . . 0.0 109.284 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' C' ' 337' ' ' ARG . 26.1 pt-20 -70.23 -45.67 66.04 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 109.159 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.826 ' HD3' HD22 ' D' ' 348' ' ' LEU . 7.8 mtm105 -64.47 -44.64 90.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.202 -0.936 . . . . 0.0 108.912 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.93 ' CE1' HD12 ' D' ' 330' ' ' LEU . 60.9 t80 -58.61 -32.54 69.09 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' C' ' 342' ' ' ARG . 1.4 mt-10 -67.07 -43.73 81.89 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.517 ' HE1' ' HG2' ' A' ' 343' ' ' GLU . 4.4 mtp -49.28 -49.9 41.5 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -65.62 -31.73 72.91 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -60.49 -27.11 67.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.176 -0.953 . . . . 0.0 108.504 179.053 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 0.7 OUTLIER -77.17 -63.35 1.39 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.383 -0.823 . . . . 0.0 109.009 179.378 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.523 ' H ' HD22 ' C' ' 344' ' ' LEU . 1.4 mm? -51.92 -65.47 0.55 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.54 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 10.2 t-20 -41.49 -29.89 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.529 -0.732 . . . . 0.0 109.755 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' C' ' 343' ' ' GLU . 0.9 OUTLIER -72.88 -48.22 39.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 109.912 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.511 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -62.33 -35.7 79.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.0 109.475 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.808 HD22 ' HD3' ' D' ' 337' ' ' ARG . 58.9 mt -65.03 -50.48 66.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.118 -0.989 . . . . 0.0 108.697 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.28 -27.41 65.81 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.017 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -71.94 -34.24 68.88 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.352 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.646 ' CA ' HD21 ' B' ' 350' ' ' LEU . 7.7 ttmt -58.42 -37.56 75.61 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -28.62 62.76 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.2 53.04 0.8 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.5 -0.75 . . . . 0.0 109.388 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.802 ' CD ' HD13 ' B' ' 350' ' ' LEU . 13.0 mt-30 -96.42 88.18 4.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.216 -0.928 . . . . 0.0 109.582 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.495 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -153.25 -176.08 5.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.294 -1.121 . . . . 0.0 109.566 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -99.39 118.71 36.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.424 -0.798 . . . . 0.0 109.49 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 83.7 m-85 -113.7 159.66 19.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.905 . . . . 0.0 109.248 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.064 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -136.24 135.53 39.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.028 -1.045 . . . . 0.0 110.102 -179.23 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.93 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -111.76 90.18 3.27 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.351 -0.843 . . . . 0.0 108.885 179.155 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.713 ' HG2' HG23 ' C' ' 329' ' ' THR . 0.9 OUTLIER -81.23 107.76 14.29 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.258 -0.901 . . . . 0.0 109.533 -179.612 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.511 HD11 HD23 ' D' ' 330' ' ' LEU . 2.8 mp -112.58 116.9 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.344 -0.847 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -81.22 97.72 7.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.169 -0.957 . . . . 0.0 109.524 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.16 -127.99 1.31 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -178.6 -53.84 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.177 -1.19 . . . . 0.0 109.239 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 26.1 pt-20 -70.03 -45.61 66.82 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.896 . . . . 0.0 109.184 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.808 ' HD3' HD22 ' C' ' 348' ' ' LEU . 7.8 mtm105 -64.83 -44.28 90.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.88 . . . . 0.0 108.967 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.917 ' CE1' HD12 ' C' ' 330' ' ' LEU . 60.5 t80 -58.85 -32.2 69.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.139 -0.976 . . . . 0.0 108.672 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' D' ' 342' ' ' ARG . 1.4 mt-10 -67.23 -43.46 81.92 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.516 ' HE1' ' HG2' ' B' ' 343' ' ' GLU . 4.4 mtp -49.53 -49.91 44.07 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -65.8 -31.12 71.91 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -61.17 -26.77 67.94 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.526 ' HG2' ' HE1' ' B' ' 340' ' ' MET . 0.8 OUTLIER -77.39 -63.13 1.44 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.422 -0.799 . . . . 0.0 109.044 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.516 ' HG ' ' HG ' ' A' ' 344' ' ' LEU . 1.4 mm? -52.41 -65.05 0.63 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.083 -1.011 . . . . 0.0 108.326 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.534 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 10.5 t-20 -41.68 -29.74 0.2 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.524 -0.735 . . . . 0.0 109.683 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' D' ' 343' ' ' GLU . 0.9 OUTLIER -72.56 -48.54 39.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 109.775 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.518 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -61.27 -38.75 87.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.183 -0.948 . . . . 0.0 109.46 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.826 HD22 ' HD3' ' C' ' 337' ' ' ARG . 56.7 mt -62.4 -50.55 71.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.159 -0.963 . . . . 0.0 108.779 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.48 -27.39 66.08 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.034 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -71.96 -34.56 69.07 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.359 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.668 ' CA ' HD21 ' A' ' 350' ' ' LEU . 7.7 ttmt -58.23 -38.03 76.04 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -28.66 63.33 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -102.31 53.12 0.8 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.433 -0.792 . . . . 0.0 109.441 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.797 ' CD ' HD13 ' A' ' 350' ' ' LEU . 16.3 mt-30 -96.86 88.86 4.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.119 -0.988 . . . . 0.0 109.512 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.552 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.05 -170.11 2.4 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.323 -1.104 . . . . 0.0 109.279 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.601 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 5.7 m-85 -103.28 109.11 20.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.0 109.372 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.554 ' HB3' ' CD1' ' B' ' 338' ' ' PHE . 27.1 m-85 -102.38 163.1 12.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.153 -0.967 . . . . 0.0 108.888 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.132 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -127.25 137.73 52.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.703 -179.723 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.604 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.2 OUTLIER -117.97 97.37 5.78 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 178.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.633 ' HG2' HG23 ' B' ' 329' ' ' THR . 52.8 mt-30 -87.89 109.43 19.77 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.408 -0.917 . . . . 0.0 108.572 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -101.85 118.03 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.437 -0.789 . . . . 0.0 109.61 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 5.3 mtm180 -78.29 91.47 4.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 108.814 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.75 -143.73 8.54 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -159.49 -57.3 0.06 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.253 -1.145 . . . . 0.0 108.786 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.36 -48.32 79.33 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.283 -0.886 . . . . 0.0 108.868 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.737 ' HD3' HD22 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -59.25 -39.24 82.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 0.0 108.894 179.472 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.566 ' CE1' HD12 ' B' ' 330' ' ' LEU . 88.7 t80 -60.37 -36.15 77.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.917 . . . . 0.0 109.109 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.11 -37.4 72.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.157 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.574 ' HE3' HD21 ' C' ' 344' ' ' LEU . 2.0 mtp -57.61 -47.22 82.78 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 122.002 0.906 . . . . 0.0 109.302 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.543 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.3 m-30 -70.21 -33.82 72.14 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 121.745 0.783 . . . . 0.0 109.079 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -35.67 63.66 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.463 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 19.0 tp10 -72.9 -60.88 2.02 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.403 -0.811 . . . . 0.0 109.791 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' D' ' 348' ' ' LEU . 0.9 OUTLIER -52.06 -62.8 1.41 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.691 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.518 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 9.4 t-20 -44.77 -33.48 1.91 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.635 -0.666 . . . . 0.0 109.977 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.73 -48.35 64.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.969 . . . . 0.0 110.214 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -61.67 -46.11 91.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.053 -1.029 . . . . 0.0 109.841 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.673 HD22 ' HD3' ' B' ' 337' ' ' ARG . 29.9 mt -54.66 -54.3 43.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.183 -0.948 . . . . 0.0 109.055 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -25.32 64.59 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.192 -0.943 . . . . 0.0 108.901 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.946 HD11 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -73.94 -30.55 62.61 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.026 -1.046 . . . . 0.0 108.457 179.605 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.637 ' CA ' HD21 ' D' ' 350' ' ' LEU . 7.8 tttt -62.41 -39.58 93.73 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.46 -27.61 62.41 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.248 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -92.75 23.86 3.9 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.244 -0.91 . . . . 0.0 109.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.679 ' CD ' HD13 ' D' ' 350' ' ' LEU . 3.6 mt-30 -88.37 6.74 35.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.214 -0.929 . . . . 0.0 109.764 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.583 -179.824 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.18 -169.39 2.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.289 -1.124 . . . . 0.0 109.531 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.586 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 6.0 m-85 -104.21 107.43 18.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.361 -0.837 . . . . 0.0 109.603 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.537 ' HB3' ' CD1' ' A' ' 338' ' ' PHE . 27.5 m-85 -101.85 161.05 13.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -0.91 . . . . 0.0 109.292 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.132 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -124.7 144.12 50.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.31 -0.869 . . . . 0.0 109.499 179.661 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.604 ' HB2' ' HB3' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -123.89 89.67 3.13 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.529 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 53.4 mt-30 -80.31 108.36 13.86 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.443 -0.903 . . . . 0.0 109.846 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -100.57 119.32 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.372 -0.83 . . . . 0.0 109.178 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.601 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 5.3 mtm180 -80.01 89.3 5.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.329 -0.857 . . . . 0.0 109.079 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.47 -141.87 7.06 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -160.02 -57.51 0.06 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.331 -1.099 . . . . 0.0 108.889 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.93 -48.06 79.18 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.327 -0.858 . . . . 0.0 108.836 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.673 ' HD3' HD22 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -59.53 -40.48 87.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -0.873 . . . . 0.0 109.153 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 330' ' ' LEU . 88.4 t80 -59.19 -36.11 74.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.269 -0.895 . . . . 0.0 109.088 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.32 -38.06 71.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.339 -0.851 . . . . 0.0 108.92 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.56 ' HE3' HD21 ' D' ' 344' ' ' LEU . 2.0 mtp -57.76 -47.06 83.59 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.528 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.6 m-30 -70.88 -30.95 67.47 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.506 -0.746 . . . . 0.0 109.008 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -33.35 68.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.09 -1.006 . . . . 0.0 108.437 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 19.4 tp10 -73.23 -64.76 0.91 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.482 -0.761 . . . . 0.0 109.132 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.635 HD11 HD11 ' C' ' 348' ' ' LEU . 1.2 mm? -47.71 -68.13 0.21 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.085 -1.009 . . . . 0.0 108.382 179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 7.6 t-20 -39.42 -34.79 0.23 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.636 -0.665 . . . . 0.0 110.135 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' B' ' 343' ' ' GLU . 7.6 tp10 -69.03 -48.71 62.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.217 -0.927 . . . . 0.0 110.164 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.547 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -61.29 -45.02 96.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.085 -1.009 . . . . 0.0 109.72 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.737 HD22 ' HD3' ' A' ' 337' ' ' ARG . 29.6 mt -56.4 -54.71 42.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.271 -0.893 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.18 -26.84 65.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.246 -0.909 . . . . 0.0 109.151 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.941 HD11 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -71.55 -32.69 68.41 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.648 ' CA ' HD21 ' C' ' 350' ' ' LEU . 8.0 tttt -60.69 -39.36 88.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.336 -0.853 . . . . 0.0 108.82 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -25.65 60.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.501 -0.75 . . . . 0.0 109.23 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -94.24 24.56 4.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.0 109.579 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.666 ' CD ' HD13 ' C' ' 350' ' ' LEU . 4.1 mt-30 -90.04 8.47 32.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.21 -0.931 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.442 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.16 -168.45 1.89 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.34 -1.094 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.601 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 5.8 m-85 -104.9 107.67 18.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 109.602 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.563 ' HB3' ' CD1' ' D' ' 338' ' ' PHE . 27.7 m-85 -101.66 161.23 13.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.162 -0.961 . . . . 0.0 109.228 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.005 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -125.45 140.83 52.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.21 -0.931 . . . . 0.0 109.78 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -121.46 89.66 3.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.372 -0.83 . . . . 0.0 109.028 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.529 ' HG2' HG23 ' D' ' 329' ' ' THR . 51.0 mt-30 -80.13 109.0 14.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.176 -0.953 . . . . 0.0 109.587 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.4 118.78 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.32 -0.863 . . . . 0.0 109.34 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.602 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 5.3 mtm180 -78.7 90.54 4.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.228 -0.92 . . . . 0.0 109.403 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.42 -142.59 7.74 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -158.83 -57.24 0.07 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.268 -1.136 . . . . 0.0 109.041 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.06 -48.13 79.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 0.0 108.886 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.705 ' HD3' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.69 -39.57 84.99 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.274 -0.891 . . . . 0.0 109.019 179.513 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.609 ' CE1' HD12 ' D' ' 330' ' ' LEU . 88.4 t80 -59.69 -36.76 77.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.913 . . . . 0.0 109.105 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.92 -37.97 72.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 0.0 108.978 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.531 ' HE3' HD21 ' A' ' 344' ' ' LEU . 2.1 mtp -57.6 -46.85 83.54 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.832 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.555 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.5 m-30 -71.0 -31.27 67.75 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.461 -0.774 . . . . 0.0 109.062 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -33.19 67.07 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.096 -1.002 . . . . 0.0 108.574 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.461 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 19.0 tp10 -73.85 -64.46 1.0 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.338 -0.851 . . . . 0.0 109.052 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.577 ' CD1' HD11 ' B' ' 348' ' ' LEU . 0.8 OUTLIER -47.9 -68.04 0.22 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.077 -1.015 . . . . 0.0 108.4 179.505 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.549 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 8.8 t-20 -40.11 -34.17 0.28 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.635 -0.666 . . . . 0.0 110.267 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' C' ' 343' ' ' GLU . 7.3 tp10 -69.84 -48.53 58.57 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.161 -0.962 . . . . 0.0 110.219 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.553 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -61.54 -42.17 98.43 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.142 -0.974 . . . . 0.0 109.566 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.719 HD22 ' HD3' ' D' ' 337' ' ' ARG . 29.4 mt -59.2 -54.56 45.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.111 -0.993 . . . . 0.0 109.393 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.02 -26.56 64.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.241 -0.912 . . . . 0.0 109.252 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.941 HD11 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -71.7 -32.88 68.3 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.398 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.678 ' CA ' HD21 ' B' ' 350' ' ' LEU . 7.8 tttt -60.48 -39.11 86.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.377 -0.827 . . . . 0.0 108.892 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -25.67 60.55 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.45 -0.781 . . . . 0.0 109.282 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -94.27 24.72 4.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.344 -0.847 . . . . 0.0 109.582 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.693 ' CD ' HD13 ' B' ' 350' ' ' LEU . 4.0 mt-30 -89.97 7.96 34.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.18 -0.95 . . . . 0.0 109.663 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.412 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.07 -168.61 1.95 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -1.164 . . . . 0.0 109.512 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.602 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 5.6 m-85 -104.8 107.53 18.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.252 -0.905 . . . . 0.0 109.556 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.593 ' HB3' ' CD1' ' C' ' 338' ' ' PHE . 27.8 m-85 -101.46 161.11 13.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.202 -0.936 . . . . 0.0 109.282 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.005 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -125.25 140.99 52.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.244 -0.91 . . . . 0.0 109.718 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.609 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.2 OUTLIER -121.6 89.82 3.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.362 -0.837 . . . . 0.0 108.94 179.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.538 ' HG2' HG23 ' C' ' 329' ' ' THR . 51.2 mt-30 -80.24 108.94 14.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -0.916 . . . . 0.0 109.742 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.12 118.89 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.91 . . . . 0.0 109.368 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.601 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 5.3 mtm180 -79.0 90.76 4.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.227 -0.921 . . . . 0.0 109.444 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.16 -142.78 7.89 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -158.51 -57.25 0.07 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -1.133 . . . . 0.0 108.982 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.95 -48.46 78.28 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.215 -0.928 . . . . 0.0 108.957 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.719 ' HD3' HD22 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.34 -39.5 83.39 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 0.0 109.074 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.627 ' CE1' HD12 ' C' ' 330' ' ' LEU . 88.0 t80 -59.67 -37.02 77.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 109.142 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.8 -37.86 73.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.317 -0.864 . . . . 0.0 108.916 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.615 ' HE3' HD21 ' B' ' 344' ' ' LEU . 2.1 mtp -57.6 -47.1 83.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.39 -0.819 . . . . 0.0 108.834 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.534 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.5 m-30 -70.86 -30.54 66.97 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.483 -0.761 . . . . 0.0 109.099 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -32.89 68.31 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.093 -1.005 . . . . 0.0 108.572 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.457 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 19.5 tp10 -73.65 -64.41 1.0 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.413 -0.804 . . . . 0.0 109.124 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.601 ' CD1' HD11 ' A' ' 348' ' ' LEU . 0.9 OUTLIER -48.37 -67.53 0.26 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.025 -1.047 . . . . 0.0 108.512 179.486 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.54 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 8.7 t-20 -40.43 -33.6 0.27 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.607 -0.683 . . . . 0.0 110.162 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' D' ' 343' ' ' GLU . 7.6 tp10 -69.85 -48.76 57.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.191 -0.943 . . . . 0.0 110.128 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.542 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -60.67 -44.85 95.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.119 -0.988 . . . . 0.0 109.523 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.705 HD22 ' HD3' ' C' ' 337' ' ' ARG . 29.6 mt -56.93 -55.03 39.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.98 -26.95 64.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.207 -0.933 . . . . 0.0 109.223 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.946 HD11 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -71.44 -32.84 68.81 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.402 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.667 ' CA ' HD21 ' A' ' 350' ' ' LEU . 8.0 tttt -60.71 -39.08 87.23 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.357 -0.839 . . . . 0.0 108.962 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -25.25 60.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.387 -0.821 . . . . 0.0 109.17 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -94.74 24.31 4.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.346 -0.846 . . . . 0.0 109.631 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.68 ' CD ' HD13 ' A' ' 350' ' ' LEU . 3.9 mt-30 -89.77 8.65 30.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.126 -0.984 . . . . 0.0 109.537 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.476 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.449 ' HB2' ' CE2' ' A' ' 328' ' ' PHE . 1.4 mm-40 -105.56 170.16 8.05 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -1.119 . . . . 0.0 109.411 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' OE1' ' B' ' 331' ' ' GLN . 9.2 m-85 -99.91 115.04 28.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.185 -0.947 . . . . 0.0 109.563 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' A' ' 326' ' ' GLU . 99.0 m-85 -115.24 152.57 32.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.266 -0.896 . . . . 0.0 109.258 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.923 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -117.79 124.56 48.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.138 -0.976 . . . . 0.0 109.597 -179.707 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.497 ' HG ' ' CE1' ' B' ' 338' ' ' PHE . 0.3 OUTLIER -104.46 93.96 5.07 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 6.7 tt0 -88.6 116.27 26.72 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.001 -1.062 . . . . 0.0 109.084 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -118.92 129.46 75.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.385 -0.822 . . . . 0.0 109.767 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.9 ttp-105 -88.13 94.79 9.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.36 -0.837 . . . . 0.0 108.981 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.53 -138.66 3.38 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -168.98 -48.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.37 -1.076 . . . . 0.0 108.986 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.61 -41.47 45.9 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.228 -0.92 . . . . 0.0 109.168 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.811 ' HD2' HD13 ' B' ' 348' ' ' LEU . 4.4 mtm-85 -66.74 -40.33 88.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 0.0 108.906 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.483 ' CE1' ' HG ' ' B' ' 330' ' ' LEU . 90.1 t80 -62.01 -38.79 89.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.313 -0.867 . . . . 0.0 109.05 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.81 -44.27 86.15 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.158 -0.964 . . . . 0.0 109.048 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.1 mtp -51.56 -53.0 42.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 109.586 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' B' ' 344' ' ' LEU . 11.7 m-85 -62.4 -33.67 75.22 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.829 0.823 . . . . 0.0 109.27 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -34.05 72.78 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.96 -52.66 16.05 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.153 -0.967 . . . . 0.0 109.507 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.626 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.7 mm? -52.62 -48.37 66.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.15 -0.969 . . . . 0.0 109.243 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.541 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 3.4 m-20 -65.5 -25.73 67.6 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.382 -0.824 . . . . 0.0 109.639 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.45 -45.59 79.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.856 . . . . 0.0 109.653 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.892 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -69.72 -43.61 72.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 0.0 109.603 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.77 HD13 ' HD2' ' B' ' 337' ' ' ARG . 87.9 mt -55.21 -52.3 63.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.201 -0.937 . . . . 0.0 109.0 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.45 -28.35 69.21 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.295 -0.878 . . . . 0.0 108.819 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.998 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -69.76 -27.73 65.18 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 121.048 -1.032 . . . . 0.0 108.255 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.529 ' CG ' HD22 ' D' ' 350' ' ' LEU . 11.7 tttm -67.94 -39.8 83.4 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.24 -44.27 95.36 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.96 -15.01 62.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.422 -0.799 . . . . 0.0 109.235 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.488 ' HG3' HD11 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -72.94 125.65 28.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.524 -0.735 . . . . 0.0 109.452 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 109.536 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.462 ' HB2' ' CE2' ' B' ' 328' ' ' PHE . 1.5 mm-40 -105.89 169.91 8.21 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.281 -1.129 . . . . 0.0 109.533 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -99.8 115.77 30.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.395 -0.816 . . . . 0.0 109.488 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' B' ' 326' ' ' GLU . 99.1 m-85 -116.41 151.9 35.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.483 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.923 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -116.19 131.1 57.04 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.219 -0.925 . . . . 0.0 109.163 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.483 ' HG ' ' CE1' ' A' ' 338' ' ' PHE . 0.3 OUTLIER -110.99 82.28 1.57 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -0.817 . . . . 0.0 108.855 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 7.8 tt0 -77.93 117.82 19.64 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.253 -0.904 . . . . 0.0 110.015 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.22 131.12 73.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.379 -0.826 . . . . 0.0 109.015 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' B' ' 333' ' ' ARG . 27.9 ttp-105 -90.43 92.3 8.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.301 -0.875 . . . . 0.0 109.205 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.93 -137.94 2.93 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.336 -1.505 . . . . 0.0 109.336 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -168.96 -48.03 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -1.089 . . . . 0.0 109.141 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -76.1 -41.06 51.5 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.348 -0.845 . . . . 0.0 109.19 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.77 ' HD2' HD13 ' A' ' 348' ' ' LEU . 3.4 mtt-85 -66.78 -42.09 86.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.234 -0.916 . . . . 0.0 109.227 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' HG ' ' A' ' 330' ' ' LEU . 90.9 t80 -60.58 -39.61 88.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.229 -0.919 . . . . 0.0 109.25 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.9 -46.64 80.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.159 -0.963 . . . . 0.0 108.948 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.9 mtp -50.58 -54.75 20.17 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.443 -0.785 . . . . 0.0 108.899 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.541 ' CE2' ' ND2' ' A' ' 345' ' ' ASN . 15.5 m-85 -61.29 -29.77 70.07 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -0.809 . . . . 0.0 109.209 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -33.36 75.59 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.23 -0.919 . . . . 0.0 109.048 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.16 -53.29 15.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.295 -0.878 . . . . 0.0 109.568 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.694 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.8 mm? -52.47 -49.53 64.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.116 -0.99 . . . . 0.0 108.929 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.449 ' ND2' ' CE2' ' A' ' 341' ' ' PHE . 4.5 m-20 -63.4 -26.7 68.86 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -0.802 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.65 -45.6 78.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.195 -0.94 . . . . 0.0 109.705 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.976 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -69.97 -41.34 74.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.157 -0.964 . . . . 0.0 109.653 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.811 HD13 ' HD2' ' A' ' 337' ' ' ARG . 91.9 mt -57.09 -53.07 62.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 109.359 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.14 -33.47 72.21 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.36 -0.837 . . . . 0.0 108.874 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.03 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.22 -30.68 71.78 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' C' ' 350' ' ' LEU . 11.6 tttm -66.17 -40.16 90.29 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.16 -43.49 95.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.408 -0.808 . . . . 0.0 108.846 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.3 -14.98 61.89 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.393 -0.817 . . . . 0.0 109.084 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.502 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -73.49 126.88 31.23 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.425 -0.797 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.57 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.443 ' HB2' ' CE2' ' C' ' 328' ' ' PHE . 1.4 mm-40 -105.89 170.66 7.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -1.104 . . . . 0.0 109.427 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -100.82 115.9 31.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 109.482 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' C' ' 326' ' ' GLU . 99.1 m-85 -115.96 152.56 33.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.931 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -117.37 126.56 52.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 109.556 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.449 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.3 OUTLIER -106.59 85.45 2.17 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.322 -0.861 . . . . 0.0 109.192 179.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.93 117.26 21.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.806 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.74 130.75 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.863 . . . . 0.0 109.176 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.3 ttp-105 -89.41 93.65 9.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.168 -0.957 . . . . 0.0 109.582 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.05 -138.37 3.2 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -168.3 -47.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.323 -1.104 . . . . 0.0 109.115 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -76.34 -41.07 49.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.227 -0.92 . . . . 0.0 109.185 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.673 ' HD3' HD22 ' D' ' 348' ' ' LEU . 3.4 mtt-85 -66.78 -41.81 87.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.326 -0.859 . . . . 0.0 109.082 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.459 ' CE1' ' HG ' ' D' ' 330' ' ' LEU . 89.8 t80 -60.72 -40.7 93.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.275 -0.891 . . . . 0.0 109.147 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.7 -47.18 82.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.259 -0.901 . . . . 0.0 108.949 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.1 mtp -49.89 -53.64 24.62 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.335 -0.853 . . . . 0.0 108.988 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.581 ' CE2' ' ND2' ' D' ' 345' ' ' ASN . 15.6 m-85 -62.36 -29.22 70.31 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.416 -0.803 . . . . 0.0 109.287 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -32.98 74.82 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.333 -0.854 . . . . 0.0 109.14 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.91 -53.5 12.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.3 -0.875 . . . . 0.0 109.582 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.5 mm? -52.28 -49.25 64.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.2 -0.938 . . . . 0.0 108.955 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.564 ' ND2' ' CE2' ' D' ' 341' ' ' PHE . 3.5 m-20 -64.37 -26.49 68.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.471 -0.768 . . . . 0.0 109.541 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.43 -44.53 78.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.306 -0.871 . . . . 0.0 109.503 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.917 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -71.18 -38.36 72.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.258 -0.901 . . . . 0.0 109.609 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.675 HD22 ' HD3' ' D' ' 337' ' ' ARG . 91.6 mt -60.26 -52.64 64.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.022 -1.049 . . . . 0.0 109.308 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.66 -33.49 71.62 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.332 -0.855 . . . . 0.0 109.039 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.03 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -63.77 -30.38 71.48 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.614 ' HG3' HD22 ' B' ' 350' ' ' LEU . 11.9 tttm -66.14 -39.6 89.96 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.75 -43.53 97.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.311 -0.868 . . . . 0.0 108.859 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.32 -14.45 61.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.382 -0.824 . . . . 0.0 109.185 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.651 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -74.04 127.56 33.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.337 -0.852 . . . . 0.0 109.424 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.431 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.445 ' HB2' ' CE2' ' D' ' 328' ' ' PHE . 1.5 mm-40 -105.51 170.26 7.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -1.175 . . . . 0.0 109.545 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -100.41 115.7 30.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.23 -0.919 . . . . 0.0 109.579 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' D' ' 326' ' ' GLU . 99.0 m-85 -115.94 152.7 32.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.205 -0.934 . . . . 0.0 109.305 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.931 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -117.51 126.54 52.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 109.573 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.459 ' HG ' ' CE1' ' C' ' 338' ' ' PHE . 0.3 OUTLIER -106.66 85.59 2.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.337 -0.852 . . . . 0.0 109.169 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -80.68 117.3 21.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.264 -0.897 . . . . 0.0 109.769 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.78 130.96 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.24 -0.912 . . . . 0.0 109.362 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -89.74 93.98 9.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.27 -0.894 . . . . 0.0 109.582 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.72 -138.73 3.44 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -167.82 -47.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.373 -1.075 . . . . 0.0 109.098 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -76.32 -41.39 48.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.288 -0.883 . . . . 0.0 109.195 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.675 ' HD3' HD22 ' C' ' 348' ' ' LEU . 3.5 mtt-85 -66.56 -41.34 88.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.343 -0.848 . . . . 0.0 109.186 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 90.5 t80 -61.18 -40.23 93.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.245 -0.91 . . . . 0.0 109.218 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.98 -46.87 82.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.175 -0.953 . . . . 0.0 108.911 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.1 mtp -50.24 -53.86 25.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.345 -0.847 . . . . 0.0 108.916 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.564 ' CE2' ' ND2' ' C' ' 345' ' ' ASN . 14.6 m-85 -61.86 -29.17 70.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.478 -0.764 . . . . 0.0 109.292 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -32.3 73.96 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.405 -0.81 . . . . 0.0 109.185 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.02 -53.34 13.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.317 -0.865 . . . . 0.0 109.506 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.3 mm? -52.47 -49.72 64.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.145 -0.972 . . . . 0.0 108.979 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.581 ' ND2' ' CE2' ' C' ' 341' ' ' PHE . 3.5 m-20 -63.83 -26.18 68.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.438 -0.789 . . . . 0.0 109.527 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.29 -45.38 76.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.535 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.923 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -69.97 -40.49 75.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.898 . . . . 0.0 109.643 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.673 HD22 ' HD3' ' C' ' 337' ' ' ARG . 85.5 mt -58.66 -52.48 65.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.171 -0.956 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.94 -33.79 72.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.251 -0.906 . . . . 0.0 108.901 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.998 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -63.18 -30.59 71.71 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.57 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.628 ' HG3' HD22 ' A' ' 350' ' ' LEU . 11.4 tttm -66.28 -39.77 89.61 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.437 -0.789 . . . . 0.0 108.908 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.43 -43.04 97.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.337 -0.852 . . . . 0.0 108.752 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -15.19 61.62 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.338 -0.851 . . . . 0.0 109.225 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.762 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -73.75 127.52 33.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.366 -0.834 . . . . 0.0 109.378 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.462 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -131.64 -167.31 1.84 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.329 -1.101 . . . . 0.0 109.494 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' CD ' ' B' ' 333' ' ' ARG . 13.8 m-85 -110.21 109.55 20.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 0.0 109.523 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 32.8 m-85 -96.59 176.26 6.09 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.226 -0.921 . . . . 0.0 109.096 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.048 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -133.3 133.96 43.25 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.306 -0.871 . . . . 0.0 109.571 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' B' ' 330' ' ' LEU . 0.2 OUTLIER -116.2 96.5 5.58 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.439 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.654 ' HG3' HG23 ' B' ' 329' ' ' THR . 3.3 mt-30 -88.62 111.82 22.35 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.243 -0.911 . . . . 0.0 108.782 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 330' ' ' LEU . 4.3 mt -111.81 136.63 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.378 -0.827 . . . . 0.0 109.851 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.441 ' CD ' ' CZ ' ' B' ' 327' ' ' TYR . 1.2 ttp85 -95.14 130.54 41.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.358 -0.839 . . . . 0.0 109.017 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 136.6 -124.59 3.2 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 0.6 OUTLIER 178.09 -52.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.32 -1.106 . . . . 0.0 109.135 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -66.81 -50.3 63.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 0.0 108.999 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.752 ' HD3' HD22 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -56.54 -43.01 79.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.21 -0.931 . . . . 0.0 108.866 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.68 ' CE1' HD12 ' B' ' 330' ' ' LEU . 75.4 t80 -58.77 -37.07 75.45 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.314 -0.866 . . . . 0.0 108.993 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 10.2 mt-10 -62.5 -40.81 97.89 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.262 -0.899 . . . . 0.0 108.802 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 mtm -58.45 -50.9 72.03 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.79 0.805 . . . . 0.0 109.31 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.595 ' HE1' HD11 ' C' ' 344' ' ' LEU . 3.4 m-85 -62.73 -27.81 69.53 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.764 0.792 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -68.05 -30.83 70.14 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.76 -55.92 5.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.433 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.593 HD11 ' HE1' ' C' ' 341' ' ' PHE . 1.0 OUTLIER -54.57 -44.43 72.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 0.0 108.761 179.613 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 341' ' ' PHE . 8.8 t-20 -64.95 -28.81 69.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.603 -0.686 . . . . 0.0 109.227 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.19 -45.73 69.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.565 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.711 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -64.86 -47.66 77.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.089 -1.007 . . . . 0.0 109.564 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.71 HD22 ' HD3' ' B' ' 337' ' ' ARG . 22.5 mt -54.24 -55.41 28.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.0 108.526 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -56.83 -26.77 59.01 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.952 ' CD1' HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -68.5 -37.0 79.7 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.538 ' HB2' ' CD2' ' D' ' 350' ' ' LEU . 15.8 ttpp -57.72 -40.75 80.31 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -29.85 69.02 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.445 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -84.67 -9.79 57.91 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.204 -0.935 . . . . 0.0 109.857 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.533 ' CD ' HD13 ' D' ' 350' ' ' LEU . 5.2 mt-30 -54.24 -60.74 2.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.32 -0.863 . . . . 0.0 109.491 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.629 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -131.57 -166.42 1.71 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.249 -1.148 . . . . 0.0 109.507 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.441 ' CZ ' ' CD ' ' A' ' 333' ' ' ARG . 13.6 m-85 -110.92 108.9 18.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -0.922 . . . . 0.0 109.63 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 338' ' ' PHE . 34.1 m-85 -97.8 169.85 9.38 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.211 -0.931 . . . . 0.0 109.37 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.048 HG22 HG22 ' A' ' 329' ' ' THR . 0.3 OUTLIER -126.06 141.3 52.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.442 -0.786 . . . . 0.0 109.777 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.68 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -123.29 87.93 2.83 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.425 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 2.8 mt-30 -80.77 112.72 18.42 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.18 -0.95 . . . . 0.0 109.708 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.64 136.35 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 109.556 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.456 ' CD ' ' CZ ' ' A' ' 327' ' ' TYR . 1.1 ttp85 -94.84 130.32 41.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.288 -0.883 . . . . 0.0 109.15 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . 136.48 -124.4 3.17 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 0.6 OUTLIER 178.36 -52.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.245 -1.15 . . . . 0.0 109.222 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.41 -50.21 64.18 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.232 -0.917 . . . . 0.0 109.071 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.71 ' HD3' HD22 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -56.32 -44.62 80.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -0.918 . . . . 0.0 109.047 179.575 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.605 ' CE1' HD12 ' A' ' 330' ' ' LEU . 74.7 t80 -57.45 -36.94 72.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 108.962 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 9.0 mt-10 -62.6 -42.2 99.43 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 mtm -58.45 -51.84 68.16 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.564 ' HE1' HD11 ' D' ' 344' ' ' LEU . 3.3 m-85 -61.67 -25.31 67.31 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.389 -0.819 . . . . 0.0 109.07 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -71.12 -28.34 64.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.249 -0.907 . . . . 0.0 109.038 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.99 -55.51 5.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.362 -0.836 . . . . 0.0 109.259 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.561 HD11 ' HE1' ' D' ' 341' ' ' PHE . 1.1 mm? -55.21 -44.35 75.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.144 -0.972 . . . . 0.0 108.681 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.552 ' HB2' ' O ' ' B' ' 341' ' ' PHE . 7.5 t-20 -64.29 -28.86 70.01 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.13 -45.54 66.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 0.0 109.575 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.698 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -64.78 -47.25 78.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.0 109.267 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.752 HD22 ' HD3' ' A' ' 337' ' ' ARG . 20.9 mt -54.96 -55.9 25.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 108.783 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -56.86 -27.09 59.92 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.935 ' CD1' HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -67.35 -38.48 84.89 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.52 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.544 ' HB2' ' CD2' ' C' ' 350' ' ' LEU . 15.8 ttpp -56.42 -39.85 73.74 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -28.41 66.38 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.47 -0.768 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.45 -10.01 56.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.333 -0.854 . . . . 0.0 109.633 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.538 ' CD ' HD13 ' C' ' 350' ' ' LEU . 6.4 mt-30 -54.78 -60.53 3.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.543 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 117.982 -1.008 . . . . 0.0 109.551 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -131.73 -166.29 1.7 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.284 -1.127 . . . . 0.0 109.493 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.522 ' CZ ' ' CD ' ' D' ' 333' ' ' ARG . 13.7 m-85 -111.2 109.12 19.01 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.2 -0.937 . . . . 0.0 109.519 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.596 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 33.5 m-85 -96.57 174.29 6.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 109.412 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.96 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -130.86 136.43 48.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.187 -0.946 . . . . 0.0 109.711 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.699 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -119.2 89.42 3.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.284 -0.885 . . . . 0.0 108.807 179.656 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.542 ' HG3' HG23 ' D' ' 329' ' ' THR . 3.1 mt-30 -82.27 112.22 19.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.205 -0.935 . . . . 0.0 109.714 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.48 136.85 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.515 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.555 ' CD ' ' CZ ' ' D' ' 327' ' ' TYR . 1.3 ttp85 -95.16 130.14 41.99 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.307 -0.871 . . . . 0.0 109.443 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . 136.36 -124.1 3.1 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 0.7 OUTLIER 178.51 -52.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -1.122 . . . . 0.0 109.307 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.35 -50.56 63.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.165 -0.959 . . . . 0.0 109.005 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.715 ' HD3' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -56.21 -43.7 78.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -0.912 . . . . 0.0 108.943 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.679 ' CE1' HD12 ' D' ' 330' ' ' LEU . 75.8 t80 -57.92 -37.68 74.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.423 -0.798 . . . . 0.0 109.054 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 9.2 mt-10 -61.87 -41.88 98.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.399 -0.813 . . . . 0.0 108.88 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 mtm -58.62 -51.63 69.09 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.593 ' HE1' HD11 ' A' ' 344' ' ' LEU . 3.3 m-85 -61.98 -24.49 67.05 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.485 -0.759 . . . . 0.0 109.199 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' C' ' 346' ' ' GLU . 1.9 mmt-85 -71.78 -28.18 63.45 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.338 -0.851 . . . . 0.0 108.812 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -78.68 -55.39 5.22 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.425 -0.797 . . . . 0.0 109.236 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.595 HD11 ' HE1' ' A' ' 341' ' ' PHE . 1.0 OUTLIER -55.09 -44.06 74.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.115 -0.99 . . . . 0.0 108.622 179.423 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' C' ' 341' ' ' PHE . 8.9 t-20 -65.47 -27.85 68.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.479 -0.763 . . . . 0.0 109.449 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' C' ' 342' ' ' ARG . 28.1 tt0 -70.75 -45.26 65.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 0.0 109.447 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.715 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -65.22 -45.83 83.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.297 -0.877 . . . . 0.0 109.194 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.694 HD22 ' HD3' ' D' ' 337' ' ' ARG . 21.5 mt -56.28 -55.84 28.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.935 . . . . 0.0 108.759 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.6 -27.26 57.67 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.935 HD11 ' CD1' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -67.29 -38.44 85.05 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.521 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.543 ' HB2' ' CD2' ' B' ' 350' ' ' LEU . 15.7 ttpp -56.2 -40.12 73.52 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -28.28 66.43 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.593 -0.692 . . . . 0.0 109.488 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.49 -9.84 56.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 0.0 109.578 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.623 ' CD ' HD13 ' B' ' 350' ' ' LEU . 6.7 mt-30 -54.95 -60.84 2.81 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.234 -0.916 . . . . 0.0 109.547 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.484 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -131.51 -166.21 1.68 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -1.137 . . . . 0.0 109.498 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.555 ' CZ ' ' CD ' ' C' ' 333' ' ' ARG . 13.6 m-85 -111.38 109.62 19.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.219 -0.926 . . . . 0.0 109.485 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.606 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 33.6 m-85 -97.17 174.0 6.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.156 -0.965 . . . . 0.0 109.354 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.96 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -130.56 136.41 48.89 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.71 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.679 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -119.13 89.49 3.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.31 -0.869 . . . . 0.0 108.897 179.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.534 ' HG3' HG23 ' C' ' 329' ' ' THR . 3.0 mt-30 -82.18 112.12 18.92 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.235 -0.916 . . . . 0.0 109.76 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.21 136.86 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.182 -0.949 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.522 ' CD ' ' CZ ' ' C' ' 327' ' ' TYR . 1.2 ttp85 -95.23 130.37 42.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.258 -0.901 . . . . 0.0 109.42 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . 136.17 -124.24 3.17 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 0.7 OUTLIER 178.54 -52.15 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -1.124 . . . . 0.0 109.251 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.61 -50.62 62.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 108.939 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.694 ' HD3' HD22 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -56.03 -43.89 78.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.225 -0.922 . . . . 0.0 108.858 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.699 ' CE1' HD12 ' C' ' 330' ' ' LEU . 75.5 t80 -57.72 -37.84 74.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.293 -0.879 . . . . 0.0 109.056 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 9.1 mt-10 -61.78 -42.04 98.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 0.0 108.802 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 mtm -58.43 -51.65 68.95 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.561 ' HE1' HD11 ' B' ' 344' ' ' LEU . 3.3 m-85 -61.99 -24.41 67.01 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.324 -0.86 . . . . 0.0 109.105 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' D' ' 346' ' ' GLU . 2.1 mmt-85 -71.79 -28.35 63.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.331 -0.855 . . . . 0.0 108.904 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -78.27 -55.69 5.05 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.331 -0.855 . . . . 0.0 109.224 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.564 HD11 ' HE1' ' B' ' 341' ' ' PHE . 0.9 OUTLIER -55.22 -43.77 74.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.212 -0.93 . . . . 0.0 108.723 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' D' ' 341' ' ' PHE . 8.6 t-20 -65.49 -27.8 68.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.456 -0.777 . . . . 0.0 109.418 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' D' ' 342' ' ' ARG . 27.4 tt0 -70.42 -45.41 65.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 109.39 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.694 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -64.68 -47.61 77.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 109.203 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.715 HD22 ' HD3' ' C' ' 337' ' ' ARG . 20.8 mt -54.92 -55.78 26.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.197 -0.939 . . . . 0.0 108.841 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -56.76 -27.36 59.37 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.952 HD11 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -67.18 -38.33 85.21 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.477 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.531 ' HB2' ' CD2' ' A' ' 350' ' ' LEU . 15.9 ttpp -56.36 -39.94 73.71 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -28.16 66.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.571 -0.705 . . . . 0.0 109.457 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.84 -9.65 56.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 109.657 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.62 ' CD ' HD13 ' A' ' 350' ' ' LEU . 7.0 mt-30 -55.53 -59.91 4.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.179 -0.951 . . . . 0.0 109.606 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.535 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -102.62 166.6 10.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -1.091 . . . . 0.0 109.426 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.537 ' CE1' ' HD2' ' B' ' 333' ' ' ARG . 2.6 m-85 -104.17 127.71 51.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.612 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 37.4 m-85 -123.94 174.04 7.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -0.881 . . . . 0.0 109.194 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.105 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -134.85 132.02 38.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.0 109.901 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.825 HD12 ' HE1' ' B' ' 338' ' ' PHE . 0.2 OUTLIER -111.83 96.72 6.23 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 8.7 mt-30 -87.7 110.02 20.13 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.125 -0.985 . . . . 0.0 108.81 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.15 145.23 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.421 -0.799 . . . . 0.0 109.658 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.5 ' HD2' ' CE1' ' B' ' 327' ' ' TYR . 19.8 ttt-85 -111.59 89.11 2.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.366 -0.834 . . . . 0.0 109.225 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.22 -120.8 0.77 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -179.16 -45.21 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.25 -1.147 . . . . 0.0 109.324 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -73.96 -57.52 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.272 -0.893 . . . . 0.0 109.199 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.485 ' HD2' ' HB3' ' B' ' 348' ' ' LEU . 38.5 mtm-85 -51.26 -45.6 62.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.137 -0.977 . . . . 0.0 108.944 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.749 ' HE1' HD12 ' B' ' 330' ' ' LEU . 11.4 t80 -54.23 -38.67 65.97 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.319 -0.863 . . . . 0.0 109.322 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.96 -42.93 84.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.12 -0.987 . . . . 0.0 109.466 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.484 ' HG2' ' HG2' ' C' ' 340' ' ' MET . 23.2 mtp -53.54 -55.6 24.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.867 . . . . 0.0 109.441 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -57.2 -32.85 66.89 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.854 0.835 . . . . 0.0 109.266 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -58.58 -42.35 87.83 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.39 0.614 . . . . 0.0 109.397 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.81 -47.78 70.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.289 -0.882 . . . . 0.0 109.649 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.715 HD12 HD12 ' D' ' 344' ' ' LEU . 0.7 OUTLIER -55.32 -44.91 76.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.393 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.451 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.3 m-20 -66.54 -25.27 66.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.319 -0.863 . . . . 0.0 109.894 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -57.34 6.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.311 -0.868 . . . . 0.0 109.983 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.523 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -65.85 -48.32 72.0 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.321 -0.862 . . . . 0.0 110.228 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 344' ' ' LEU . 31.6 mt -50.89 -49.8 58.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 109.209 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.39 -31.88 71.8 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.235 -0.915 . . . . 0.0 108.946 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.013 HD13 ' NE2' ' D' ' 354' ' ' GLN . 0.1 OUTLIER -73.91 -21.63 59.99 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 120.879 -1.138 . . . . 0.0 108.673 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.574 ' HA ' HD21 ' D' ' 350' ' ' LEU . 7.0 ttpt -66.39 -43.43 85.85 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -30.91 70.12 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.93 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -93.69 32.27 1.44 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.883 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.696 ' NE2' HD13 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -125.4 71.76 1.23 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.202 -0.936 . . . . 0.0 109.658 -179.64 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.648 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -102.78 166.21 10.61 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -1.139 . . . . 0.0 109.495 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.5 ' CE1' ' HD2' ' A' ' 333' ' ' ARG . 2.7 m-85 -103.68 127.61 51.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.236 -0.915 . . . . 0.0 109.509 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 37.5 m-85 -125.15 169.91 11.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.31 -0.869 . . . . 0.0 109.388 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.105 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -129.39 139.63 51.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.299 -0.876 . . . . 0.0 109.755 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.749 HD12 ' HE1' ' A' ' 338' ' ' PHE . 0.2 OUTLIER -119.14 87.89 2.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.505 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 7.9 mt-30 -79.37 110.37 14.6 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.176 -0.952 . . . . 0.0 109.752 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.05 145.55 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -0.841 . . . . 0.0 109.176 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.537 ' HD2' ' CE1' ' A' ' 327' ' ' TYR . 19.6 ttt-85 -111.96 88.43 2.8 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.222 -0.924 . . . . 0.0 109.263 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.03 -120.6 0.75 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -179.02 -44.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.252 -1.146 . . . . 0.0 109.349 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -73.81 -57.53 3.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.91 . . . . 0.0 109.156 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.436 ' HD2' ' HB3' ' A' ' 348' ' ' LEU . 38.6 mtm-85 -51.26 -47.07 62.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.158 -0.964 . . . . 0.0 109.081 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.825 ' HE1' HD12 ' A' ' 330' ' ' LEU . 11.4 t80 -53.05 -38.74 62.7 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.377 -0.827 . . . . 0.0 109.254 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.95 -44.02 81.68 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.151 -0.968 . . . . 0.0 109.205 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.465 ' HG2' ' HG2' ' D' ' 340' ' ' MET . 26.2 mtp -53.45 -56.23 18.67 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.284 -0.885 . . . . 0.0 108.901 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -56.97 -29.61 63.37 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.47 -0.769 . . . . 0.0 109.035 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -61.7 -42.07 98.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.447 -0.783 . . . . 0.0 109.601 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.32 -47.84 72.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.28 -0.887 . . . . 0.0 109.823 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.674 HD12 HD12 ' C' ' 344' ' ' LEU . 0.9 OUTLIER -55.79 -44.53 77.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.177 -0.952 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.545 ' ND2' HD21 ' A' ' 330' ' ' LEU . 1.5 m-20 -65.55 -26.61 67.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 109.764 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -60.86 2.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.237 -0.914 . . . . 0.0 109.794 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.563 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -62.25 -49.65 74.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.23 -0.919 . . . . 0.0 109.955 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.485 ' HB3' ' HD2' ' A' ' 337' ' ' ARG . 33.4 mt -50.04 -49.83 49.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.155 -0.965 . . . . 0.0 109.684 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -61.59 -34.34 75.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.18 -0.95 . . . . 0.0 109.159 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.968 HD12 ' O ' ' B' ' 350' ' ' LEU . 0.1 OUTLIER -70.64 -22.54 62.5 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.256 -0.903 . . . . 0.0 108.913 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.639 ' HA ' HD21 ' C' ' 350' ' ' LEU . 7.4 ttpt -66.53 -41.88 88.08 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 0.0 108.907 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -27.05 64.07 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.372 -0.83 . . . . 0.0 108.998 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -96.64 30.8 2.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 0.0 109.383 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.824 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -124.75 73.03 1.24 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.133 -0.979 . . . . 0.0 109.635 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.437 179.794 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -102.81 166.56 10.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -1.121 . . . . 0.0 109.478 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.531 ' CE1' ' HD2' ' D' ' 333' ' ' ARG . 2.7 m-85 -104.12 127.56 51.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.26 -0.9 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 38.0 m-85 -123.91 173.33 8.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 0.0 109.353 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.036 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -133.3 134.95 44.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.0 109.775 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.832 HD12 ' HE1' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -115.3 89.42 3.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 108.832 179.56 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 8.0 mt-30 -80.3 110.94 16.21 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.118 -0.989 . . . . 0.0 109.754 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.93 145.97 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.881 . . . . 0.0 109.387 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.522 ' HD2' ' CE1' ' D' ' 327' ' ' TYR . 18.9 ttt-85 -112.17 88.6 2.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.178 -0.951 . . . . 0.0 109.467 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.54 -120.53 0.75 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -178.9 -45.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.268 -1.136 . . . . 0.0 109.268 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -73.18 -58.09 3.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.297 -0.877 . . . . 0.0 109.188 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.517 ' HD2' ' HB3' ' D' ' 348' ' ' LEU . 40.0 mtm-85 -50.82 -46.43 59.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.271 -0.893 . . . . 0.0 109.077 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.843 ' HE1' HD12 ' D' ' 330' ' ' LEU . 11.1 t80 -53.48 -39.24 64.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.501 -0.749 . . . . 0.0 109.39 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.54 -43.82 84.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.259 -0.901 . . . . 0.0 109.212 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.484 ' HG2' ' HG2' ' A' ' 340' ' ' MET . 26.6 mtp -53.55 -55.58 24.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -0.883 . . . . 0.0 108.798 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' D' ' 344' ' ' LEU . 17.2 m-85 -57.61 -29.25 64.35 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.432 -0.792 . . . . 0.0 109.14 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -62.07 -41.99 98.73 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.497 -0.752 . . . . 0.0 109.676 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.46 -48.01 71.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.244 -0.91 . . . . 0.0 109.621 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.674 HD12 HD12 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -55.59 -44.23 76.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.247 -0.908 . . . . 0.0 109.376 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.533 ' ND2' HD21 ' D' ' 330' ' ' LEU . 1.3 m-20 -66.77 -25.85 66.68 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.196 -0.94 . . . . 0.0 109.83 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.81 -60.32 2.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 0.0 109.928 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -62.54 -48.98 77.11 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.28 -0.887 . . . . 0.0 109.92 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.525 ' HB3' ' HD2' ' D' ' 337' ' ' ARG . 32.7 mt -51.02 -49.87 59.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.077 -1.015 . . . . 0.0 109.644 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.25 -34.05 74.53 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.258 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.964 ' O ' HD12 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -70.86 -22.51 62.29 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.296 -0.877 . . . . 0.0 108.926 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.657 ' HA ' HD21 ' B' ' 350' ' ' LEU . 7.2 ttpt -66.56 -41.44 88.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.337 -0.852 . . . . 0.0 109.028 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -26.91 63.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.347 -0.846 . . . . 0.0 109.097 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -96.88 31.22 2.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.332 -0.855 . . . . 0.0 109.438 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.913 ' NE2' HD13 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -125.3 73.18 1.29 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.164 -0.96 . . . . 0.0 109.596 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.383 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.639 -1.385 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -102.72 166.18 10.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -1.15 . . . . 0.0 109.501 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.522 ' CE1' ' HD2' ' C' ' 333' ' ' ARG . 2.7 m-85 -103.88 127.49 51.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 0.0 109.57 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 39.6 m-85 -123.96 173.23 8.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 109.288 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.036 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -133.12 134.71 44.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.142 -0.974 . . . . 0.0 109.929 -179.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.843 HD12 ' HE1' ' C' ' 338' ' ' PHE . 0.2 OUTLIER -115.14 89.31 3.07 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 8.1 mt-30 -80.34 110.8 16.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.167 -0.958 . . . . 0.0 109.684 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.61 145.78 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 0.0 109.431 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.531 ' HD2' ' CE1' ' C' ' 327' ' ' TYR . 19.9 ttt-85 -111.9 88.8 2.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.212 -0.93 . . . . 0.0 109.626 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.12 -120.79 0.77 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -178.41 -45.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -1.139 . . . . 0.0 109.345 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.23 -57.93 3.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.914 . . . . 0.0 109.221 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.525 ' HD2' ' HB3' ' C' ' 348' ' ' LEU . 39.9 mtm-85 -51.03 -46.12 61.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.178 -0.951 . . . . 0.0 109.109 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.832 ' HE1' HD12 ' C' ' 330' ' ' LEU . 11.3 t80 -53.84 -38.87 65.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.369 -0.832 . . . . 0.0 109.235 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.81 -43.82 82.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.259 -0.9 . . . . 0.0 109.156 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.465 ' HG2' ' HG2' ' B' ' 340' ' ' MET . 27.2 mtp -53.56 -56.07 20.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.184 -0.947 . . . . 0.0 108.853 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' C' ' 344' ' ' LEU . 17.3 m-85 -57.1 -29.12 63.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.505 -0.747 . . . . 0.0 109.127 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -62.29 -42.09 99.05 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.432 -0.793 . . . . 0.0 109.666 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.416 ' HB3' ' HE1' ' B' ' 340' ' ' MET . 2.6 tp10 -66.29 -47.98 71.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.0 109.783 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -55.41 -44.77 76.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 109.386 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.559 ' ND2' HD21 ' C' ' 330' ' ' LEU . 1.4 m-20 -66.12 -25.81 67.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.251 -0.905 . . . . 0.0 109.907 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -60.52 2.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.872 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.571 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -62.23 -49.81 74.25 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.926 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.517 ' HB3' ' HD2' ' C' ' 337' ' ' ARG . 33.8 mt -50.21 -49.92 51.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.161 -0.962 . . . . 0.0 109.645 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.35 -34.32 75.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.239 -0.913 . . . . 0.0 109.229 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.949 ' O ' HD12 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -70.48 -22.76 62.63 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.381 -0.825 . . . . 0.0 108.819 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.664 ' HA ' HD21 ' A' ' 350' ' ' LEU . 7.4 ttpt -66.44 -41.35 89.26 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.365 -0.835 . . . . 0.0 109.069 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -26.69 63.28 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.354 -0.841 . . . . 0.0 108.977 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -97.0 30.85 2.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 0.0 109.611 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 1.013 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -125.15 73.05 1.27 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.392 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -133.61 -165.61 1.66 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.327 -1.102 . . . . 0.0 109.468 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.467 ' CZ ' ' HD3' ' B' ' 333' ' ' ARG . 29.9 m-85 -99.61 115.01 28.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.37 -0.831 . . . . 0.0 109.672 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.499 ' HB3' ' CZ ' ' B' ' 338' ' ' PHE . 32.9 m-85 -111.83 132.48 54.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.212 -0.93 . . . . 0.0 109.099 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.113 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -99.88 113.63 26.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 110.046 -179.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 0.5 OUTLIER -95.93 92.49 6.52 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.434 ' CG ' HG23 ' B' ' 329' ' ' THR . 32.0 mt-30 -87.37 111.4 21.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.937 -1.102 . . . . 0.0 108.771 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.415 HD11 HD21 ' B' ' 345' ' ' ASN . 6.4 mt -111.97 120.25 61.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.358 -0.839 . . . . 0.0 109.925 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.447 ' HD3' ' CZ ' ' B' ' 327' ' ' TYR . 9.7 ttm180 -79.87 93.87 5.73 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 335' ' ' ARG . . . 178.19 -131.11 1.69 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.314 -1.515 . . . . 0.0 109.314 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 1.7 ttt180 179.23 -61.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -1.15 . . . . 0.0 109.556 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.61 -39.98 93.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.693 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.629 ' CD ' HD13 ' B' ' 348' ' ' LEU . 6.7 mtm105 -72.34 -24.87 61.36 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.946 -1.096 . . . . 0.0 108.666 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' B' ' 330' ' ' LEU . 40.5 t80 -67.6 -32.0 72.43 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.316 -0.865 . . . . 0.0 108.733 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 23.8 mt-10 -72.43 -48.5 40.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.292 -0.88 . . . . 0.0 109.233 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.495 ' O ' HD22 ' A' ' 344' ' ' LEU . 2.9 mtm -48.77 -54.98 12.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.654 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.561 ' CE2' ' ND2' ' B' ' 345' ' ' ASN . 8.6 m-85 -63.33 -35.5 80.6 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 121.68 0.752 . . . . 0.0 109.455 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -32.27 69.47 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -74.61 -52.01 12.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.113 -0.992 . . . . 0.0 109.56 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.8 mm? -55.12 -37.69 67.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.929 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.612 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 2.7 m-20 -75.72 -25.05 56.28 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.356 -0.84 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.29 -44.38 71.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.332 -0.855 . . . . 0.0 109.711 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 1.008 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -68.6 -49.19 61.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.19 -0.944 . . . . 0.0 109.627 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' D' ' 347' ' ' ALA . 57.1 mt -53.53 -46.67 70.23 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.33 -31.3 71.9 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.019 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -67.7 -27.13 66.56 Favored 'General case' 0 C--N 1.311 -1.08 0 O-C-N 121.042 -1.036 . . . . 0.0 108.465 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.743 ' HD2' HD22 ' D' ' 350' ' ' LEU . 4.2 tptt -65.76 -42.5 90.82 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.95 -40.66 89.78 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.641 -0.824 . . . . 0.0 108.897 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.56 -16.16 60.82 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.293 -0.879 . . . . 0.0 109.634 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.551 ' HG3' ' CD1' ' D' ' 350' ' ' LEU . 0.3 OUTLIER -68.62 102.2 1.44 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.507 -0.746 . . . . 0.0 109.613 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.54 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -133.86 -166.37 1.78 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.177 -1.19 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.447 ' CZ ' ' HD3' ' A' ' 333' ' ' ARG . 32.4 m-85 -98.81 115.87 29.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.495 -0.753 . . . . 0.0 109.638 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 338' ' ' PHE . 30.9 m-85 -112.89 131.52 55.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.405 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.113 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -98.29 121.23 39.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.168 -0.958 . . . . 0.0 109.469 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -103.98 77.44 1.44 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.531 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.445 ' CG ' HG23 ' A' ' 329' ' ' THR . 32.1 mt-30 -73.99 112.41 10.1 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.368 -0.833 . . . . 0.0 109.978 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.51 122.93 67.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.3 -0.875 . . . . 0.0 109.004 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 327' ' ' TYR . 10.5 ttm180 -83.24 89.79 7.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.883 . . . . 0.0 108.926 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' B' ' 335' ' ' ARG . . . -178.35 -130.08 1.37 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 1.8 ttt180 179.49 -60.89 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.202 -1.175 . . . . 0.0 109.564 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.59 -40.36 91.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 109.639 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.586 ' CD ' HD13 ' A' ' 348' ' ' LEU . 7.6 mtm105 -72.29 -25.75 61.71 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.074 -1.016 . . . . 0.0 109.171 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 40.3 t80 -67.14 -31.55 72.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.333 -0.854 . . . . 0.0 108.752 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 22.3 mt-10 -72.91 -49.54 29.02 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.418 -0.801 . . . . 0.0 109.034 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.492 ' O ' HD22 ' B' ' 344' ' ' LEU . 3.5 mtm -48.84 -56.02 9.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.309 -0.869 . . . . 0.0 109.032 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.612 ' CE2' ' ND2' ' A' ' 345' ' ' ASN . 11.8 m-85 -62.95 -32.27 73.55 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.503 -0.748 . . . . 0.0 109.396 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -62.04 -31.21 71.59 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.375 -179.615 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.74 -52.64 10.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.282 -0.886 . . . . 0.0 109.763 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.796 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.5 mm? -54.7 -38.53 67.15 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.187 -0.945 . . . . 0.0 109.168 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.561 ' ND2' ' CE2' ' A' ' 341' ' ' PHE . 3.1 m-20 -73.92 -26.01 60.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.398 -0.814 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.29 -44.88 70.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.349 -0.845 . . . . 0.0 109.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.969 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -67.17 -51.44 53.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.257 -0.902 . . . . 0.0 109.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.911 HD23 ' HB2' ' C' ' 347' ' ' ALA . 57.8 mt -52.23 -45.99 65.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.184 -0.948 . . . . 0.0 108.796 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.18 -32.4 73.79 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.016 HD11 HD11 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -65.54 -28.98 69.56 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.772 ' HD2' HD22 ' C' ' 350' ' ' LEU . 4.4 tptt -64.21 -42.85 96.43 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.68 -40.35 87.55 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.459 -0.776 . . . . 0.0 109.042 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.7 -16.6 60.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.296 -0.878 . . . . 0.0 109.313 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.562 HE21 HD12 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -68.67 103.26 1.68 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.241 -0.912 . . . . 0.0 109.545 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.045 -0.979 . . . . 0.0 109.454 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -133.71 -165.17 1.59 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -1.174 . . . . 0.0 109.631 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.504 ' CZ ' ' HD3' ' D' ' 333' ' ' ARG . 30.7 m-85 -100.08 115.23 29.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.558 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.486 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 31.5 m-85 -111.81 132.75 54.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.199 -0.938 . . . . 0.0 109.271 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.046 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -99.94 116.36 31.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 110.004 -179.5 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.549 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -99.18 80.75 2.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.266 -0.896 . . . . 0.0 108.814 179.318 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.442 ' CG ' HG23 ' D' ' 329' ' ' THR . 32.8 mt-30 -76.55 112.93 13.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.0 109.837 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.65 121.06 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 109.393 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.487 ' HD3' ' CZ ' ' D' ' 327' ' ' TYR . 10.0 ttm180 -81.02 91.07 6.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.894 . . . . 0.0 109.312 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' C' ' 335' ' ' ARG . . . -179.36 -130.52 1.47 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 1.8 ttt180 179.51 -61.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -1.098 . . . . 0.0 109.482 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.47 -40.28 90.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.251 -0.905 . . . . 0.0 109.652 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.55 ' CD ' HD13 ' D' ' 348' ' ' LEU . 7.5 mtm105 -72.47 -25.28 61.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.109 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 42.1 t80 -67.52 -31.9 72.32 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.227 -0.921 . . . . 0.0 108.79 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 22.3 mt-10 -72.35 -49.5 33.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.818 . . . . 0.0 108.998 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.459 ' O ' HD22 ' C' ' 344' ' ' LEU . 3.4 mtm -48.82 -55.18 12.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.327 -0.858 . . . . 0.0 108.957 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.601 ' CE2' ' ND2' ' D' ' 345' ' ' ASN . 11.7 m-85 -63.5 -31.62 72.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.431 -0.793 . . . . 0.0 109.516 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.418 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -62.94 -30.38 71.52 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.264 -0.898 . . . . 0.0 109.46 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -75.11 -52.69 10.39 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.132 -0.98 . . . . 0.0 109.532 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.796 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.6 mm? -55.07 -38.76 68.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.593 ' ND2' ' CE2' ' D' ' 341' ' ' PHE . 2.8 m-20 -74.13 -25.27 59.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.834 . . . . 0.0 109.226 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.27 -44.44 68.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.358 -0.839 . . . . 0.0 109.468 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.946 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -67.6 -49.54 62.6 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.241 -0.912 . . . . 0.0 109.29 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.838 HD23 ' HB2' ' B' ' 347' ' ' ALA . 57.7 mt -54.34 -45.54 72.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.057 -1.027 . . . . 0.0 108.739 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -63.27 -31.95 73.23 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.016 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -66.04 -29.47 69.83 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.367 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.83 ' HD2' HD22 ' B' ' 350' ' ' LEU . 4.3 tptt -63.64 -42.3 98.15 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.31 -40.2 89.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.336 -0.852 . . . . 0.0 109.207 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.88 -16.14 60.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.361 -0.837 . . . . 0.0 109.309 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.673 HE21 HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -69.27 103.91 2.08 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.307 -0.871 . . . . 0.0 109.54 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.544 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -133.48 -165.13 1.58 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.195 -1.18 . . . . 0.0 109.704 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' C' ' 333' ' ' ARG . 31.1 m-85 -100.26 115.08 29.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.626 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.507 ' HB3' ' CZ ' ' C' ' 338' ' ' PHE . 31.9 m-85 -111.64 132.85 54.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.158 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.046 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -100.11 116.24 31.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.307 -0.871 . . . . 0.0 109.943 -179.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.558 ' HG ' ' CZ ' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -99.05 80.66 2.49 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.301 -0.874 . . . . 0.0 108.799 179.324 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.456 ' CG ' HG23 ' C' ' 329' ' ' THR . 32.8 mt-30 -76.4 112.86 13.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.883 . . . . 0.0 109.826 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 5.8 mt -113.38 120.91 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.344 -0.847 . . . . 0.0 109.469 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.504 ' HD3' ' CZ ' ' C' ' 327' ' ' TYR . 10.1 ttm180 -80.95 91.08 5.98 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.9 . . . . 0.0 109.432 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' D' ' 335' ' ' ARG . . . -179.5 -130.68 1.5 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 1.8 ttt180 179.89 -60.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.278 -1.13 . . . . 0.0 109.491 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.56 -40.2 90.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.623 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.538 ' CD ' HD13 ' C' ' 348' ' ' LEU . 7.2 mtm105 -72.54 -25.42 61.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.087 -1.008 . . . . 0.0 109.071 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.549 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 41.9 t80 -67.34 -31.98 72.62 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.295 -0.878 . . . . 0.0 108.778 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 22.5 mt-10 -72.28 -49.54 33.97 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.301 -0.875 . . . . 0.0 108.9 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.467 ' HA ' ' SD ' ' B' ' 340' ' ' MET . 3.5 mtm -48.66 -55.53 11.03 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.234 -0.916 . . . . 0.0 109.025 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.593 ' CE2' ' ND2' ' C' ' 345' ' ' ASN . 11.5 m-85 -63.26 -31.63 72.83 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.485 -0.759 . . . . 0.0 109.555 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.4 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -62.81 -30.55 71.57 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.295 -0.878 . . . . 0.0 109.562 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.405 ' HB3' ' HE1' ' B' ' 340' ' ' MET . 16.9 tp10 -75.26 -52.16 11.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.197 -0.939 . . . . 0.0 109.615 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.5 mm? -55.28 -38.71 68.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.149 -0.969 . . . . 0.0 109.215 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' C' ' 341' ' ' PHE . 2.9 m-20 -74.34 -25.09 59.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 0.0 109.251 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.08 -45.02 67.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.323 -0.861 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.977 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -66.84 -51.47 55.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.166 -0.959 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 347' ' ' ALA . 59.9 mt -52.43 -46.08 66.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.225 -0.922 . . . . 0.0 108.807 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.95 -32.52 73.84 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.019 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -65.37 -29.15 69.84 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.362 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.871 ' HD2' HD22 ' A' ' 350' ' ' LEU . 4.2 tptt -64.29 -42.59 96.31 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.92 -39.68 86.29 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.325 -0.86 . . . . 0.0 109.079 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.43 -16.73 60.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.355 -0.841 . . . . 0.0 109.325 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.704 HE21 HD12 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -68.97 103.9 1.95 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.285 -0.884 . . . . 0.0 109.534 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.475 -179.926 . . . . . . . . 0 0 . 1 stop_ save_