data_1z64_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 1z64 _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 ' 5' ' ' PHE . . . . . 0.582 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 79.6 m-85 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.087 0.47 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.456 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -43.75 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.961 -1.087 . . . . 0.0 109.494 179.555 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 1.3 mptp? -79.36 -43.05 24.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.242 -0.911 . . . . 0.0 109.722 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.527 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 10.6 tptt -52.87 -48.52 67.04 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.246 -0.909 . . . . 0.0 109.325 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -76.32 -45.14 33.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.091 -1.006 . . . . 0.0 109.504 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -59.77 -45.84 91.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.114 -0.992 . . . . 0.0 109.288 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 15.2 m-70 -70.27 -35.41 73.73 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.388 -0.82 . . . . 0.0 109.61 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 15.6 t -74.58 -49.77 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.201 -0.937 . . . . 0.0 109.717 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.53 -33.65 85.27 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 6.5 ttmm -73.64 -53.69 9.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.301 -1.117 . . . . 0.0 110.021 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -61.69 -39.29 90.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.292 -0.88 . . . . 0.0 110.016 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 48.5 t -72.74 -48.0 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 110.157 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -58.79 -45.34 95.06 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.505 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 12.1 mttt -70.71 -46.01 63.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.209 -1.171 . . . . 0.0 110.196 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.74 -28.77 66.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -0.876 . . . . 0.0 110.211 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.08 -29.43 13.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.942 . . . . 0.0 110.585 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 1.5 tt -108.87 -49.63 3.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.003 -1.061 . . . . 0.0 110.333 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.505 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 56.5 m . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.219 -0.926 . . . . 0.0 110.347 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.649 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 11.9 m-85 . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.555 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 3.7 m-85 -48.12 -46.09 33.74 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 120.104 -1.623 . . . . 0.0 108.582 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -86.21 -63.47 1.31 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.88 -1.137 . . . . 0.0 110.375 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.602 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -51.53 -42.89 62.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 118.552 -1.259 . . . . 0.0 109.038 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.649 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -72.36 -40.43 67.33 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.39 -1.324 . . . . 0.0 109.408 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 6' ' ' PHE . . . -51.42 -58.0 7.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.7 -1.25 . . . . 0.0 109.842 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.602 ' CD2' ' HA ' ' A' ' 8' ' ' LYS . 3.0 p80 -72.46 -27.41 62.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.025 -1.047 . . . . 0.0 110.393 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.579 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 2.2 t -66.67 -51.38 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.699 -1.25 . . . . 0.0 108.794 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.36 -30.05 65.29 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 10.5 tppt? -67.82 -41.56 82.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -1.121 . . . . 0.0 110.056 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.629 ' CD2' ' N ' ' A' ' 16' ' ' VAL . 1.9 p-80 -81.34 -39.94 24.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.935 -1.103 . . . . 0.0 109.583 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' N ' ' CD2' ' A' ' 15' ' ' HIS . 15.9 t -62.95 -40.66 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.171 -0.956 . . . . 0.0 109.084 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -77.56 -53.03 5.23 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 22' ' ' THR . 2.4 mmpt? -46.51 -44.37 17.65 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.852 -1.381 . . . . 0.0 108.558 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 15' ' ' HIS . . . -79.14 -70.61 0.49 Allowed 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.812 -1.18 . . . . 0.0 110.371 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -49.71 -25.87 3.31 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.808 -0.557 . . . . 0.0 110.204 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' GLY . 1.8 tt -107.69 -37.5 6.13 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.217 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 O-C-N 120.44 -1.413 . . . . 0.0 111.098 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.648 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 22.2 m-85 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -47.65 -52.72 17.13 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 120.18 -1.575 . . . . 0.0 108.384 179.455 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 6' ' ' PHE . 17.8 tttp -82.7 -59.46 2.5 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.956 -1.09 . . . . 0.0 110.976 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.591 ' HA ' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -55.88 -41.44 74.44 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 118.511 -1.276 . . . . 0.0 109.641 -179.652 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.648 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -73.24 -40.06 64.97 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 118.196 -1.401 . . . . 0.0 109.055 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 6' ' ' PHE . . . -52.61 -59.08 4.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.934 -1.104 . . . . 0.0 109.639 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.591 ' CE1' ' HA ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -70.15 -27.29 64.42 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.474 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.575 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 3.4 t -69.85 -50.33 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.657 -1.277 . . . . 0.0 109.009 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.15 -31.93 72.34 Favored Glycine 0 N--CA 1.487 2.089 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -68.55 -53.05 25.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.138 -1.213 . . . . 0.0 110.108 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.628 ' CD2' ' N ' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -67.97 -39.69 83.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.755 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.628 ' N ' ' CD2' ' A' ' 15' ' ' HIS . 15.9 t -66.15 -46.27 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.122 -0.986 . . . . 0.0 109.182 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -59.74 -56.99 21.8 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.583 ' CD ' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -59.67 -44.44 93.59 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.367 -1.667 . . . . 0.0 108.834 179.463 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.583 ' N ' ' CD ' ' A' ' 18' ' ' LYS . . . -45.11 -62.79 1.11 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 110.479 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 -11.51 29.41 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.973 -1.079 . . . . 0.0 112.291 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 17' ' ' GLY . 13.3 mt -110.38 -39.74 4.86 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.585 -1.322 . . . . 0.0 111.339 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 18' ' ' LYS . 1.8 m . . . . . 0 N--CA 1.5 2.046 0 O-C-N 120.619 -1.301 . . . . 0.0 110.217 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.654 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 19.7 m-85 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.563 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 5.0 m-85 -48.19 -46.22 34.68 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 120.21 -1.556 . . . . 0.0 108.589 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -86.48 -62.88 1.41 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.803 -1.186 . . . . 0.0 110.352 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.598 ' HA ' ' CE1' ' A' ' 11' ' ' HIS . 3.5 ptpt -51.86 -42.61 62.76 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.104 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.654 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -72.44 -40.92 66.7 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.327 -1.349 . . . . 0.0 109.283 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 6' ' ' PHE . . . -51.78 -58.86 5.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.655 -1.278 . . . . 0.0 109.843 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.598 ' CE1' ' HA ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -70.63 -28.05 64.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.011 -1.056 . . . . 0.0 110.311 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 3.3 t -68.73 -56.39 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.588 -1.32 . . . . 0.0 108.804 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.71 -34.46 89.71 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 8.6 tttt -67.3 -37.23 83.03 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.33 -1.1 . . . . 0.0 109.781 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.531 ' CD2' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -71.99 -46.5 57.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.976 -1.077 . . . . 0.0 109.314 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.531 HG22 ' CD2' ' A' ' 15' ' ' HIS . 99.4 t -62.55 -52.62 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.842 . . . . 0.0 109.595 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -60.85 -43.1 99.68 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.557 ' O ' ' HB ' ' A' ' 22' ' ' THR . 1.3 ttpm? -72.49 -72.16 0.25 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.668 -1.489 . . . . 0.0 109.647 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 18' ' ' LYS . . . -40.02 -37.37 0.58 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.462 -0.774 . . . . 0.0 109.84 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -89.98 -47.55 7.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.276 -0.89 . . . . 0.0 111.434 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 17' ' ' GLY . 11.6 mt -91.95 -41.84 10.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.788 -1.195 . . . . 0.0 110.673 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 18' ' ' LYS . 8.9 m . . . . . 0 N--CA 1.496 1.849 0 O-C-N 120.626 -1.296 . . . . 0.0 109.446 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.583 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 46.5 m-85 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.137 0.494 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.01 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.942 -1.099 . . . . 0.0 109.531 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -79.6 -41.94 26.0 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.175 -0.953 . . . . 0.0 109.784 179.319 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.527 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -53.96 -48.36 70.37 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.302 -0.874 . . . . 0.0 109.35 179.19 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.583 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -76.48 -45.09 32.6 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.118 -0.989 . . . . 0.0 109.573 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.39 -46.01 91.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.176 -0.952 . . . . 0.0 109.184 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.401 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 55.8 t-80 -69.55 -35.86 75.82 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.463 -0.773 . . . . 0.0 109.629 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 14.8 t -73.95 -51.99 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.171 -0.956 . . . . 0.0 109.644 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' O ' HG22 ' A' ' 16' ' ' VAL . . . -64.26 -34.22 89.35 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 2.5 tpmt? -72.55 -48.16 42.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -1.138 . . . . 0.0 110.022 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -62.63 -44.23 96.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.295 -0.878 . . . . 0.0 110.099 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 9.7 m -71.36 -42.54 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 110.09 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -63.39 -38.58 96.62 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 15.7 tttt -75.12 -53.9 8.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -1.146 . . . . 0.0 110.219 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.0 -22.69 67.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.926 . . . . 0.0 110.223 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -99.59 -40.81 7.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.0 110.184 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -99.13 -48.97 4.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.218 -0.926 . . . . 0.0 110.222 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.502 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 85.1 m . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.199 -0.938 . . . . 0.0 110.22 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.583 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 4.6 m-85 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.095 0.474 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 2.4 m-85 -43.4 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.949 -1.094 . . . . 0.0 109.509 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 12.3 mptt -79.18 -44.14 22.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.198 -0.939 . . . . 0.0 109.651 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.534 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -51.99 -48.86 64.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.252 -0.905 . . . . 0.0 109.415 179.159 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.583 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -75.86 -44.3 41.42 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.509 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -59.96 -48.38 81.94 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.074 -1.016 . . . . 0.0 109.268 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.464 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 18.7 m-70 -67.85 -36.3 80.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.401 -0.812 . . . . 0.0 109.609 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 9.0 t -70.93 -58.64 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 109.662 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 16' ' ' VAL . . . -58.55 -36.21 84.03 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 16.7 tttt -65.58 -52.13 54.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.331 -1.1 . . . . 0.0 109.921 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.527 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.8 t-160 -62.19 -58.5 7.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 0.0 109.915 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.512 ' CG2' ' N ' ' A' ' 17' ' ' GLY . 5.7 m -53.57 -42.6 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 110.093 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -69.08 -71.07 1.03 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.528 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 1.2 tttt -47.69 -23.28 0.66 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.081 -1.246 . . . . 0.0 110.176 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -86.36 -63.9 1.24 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.147 -0.971 . . . . 0.0 110.746 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.49 5.67 37.9 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.841 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 2.0 tt -120.11 -54.34 2.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.121 -0.987 . . . . 0.0 110.052 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.528 ' CG2' ' HA ' ' A' ' 18' ' ' LYS . 7.7 p . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.193 -0.942 . . . . 0.0 110.308 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.648 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 16.4 m-85 . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.561 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 2.8 m-85 -51.5 -47.22 63.32 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 119.866 -1.771 . . . . 0.0 108.528 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -85.95 -63.61 1.29 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.785 -1.197 . . . . 0.0 110.492 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.587 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -50.93 -41.42 58.82 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.447 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.648 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -74.61 -41.67 60.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.392 -1.442 . . . . 0.0 109.355 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 6' ' ' PHE . . . -51.7 -59.52 4.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.773 -1.204 . . . . 0.0 109.754 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.589 ' CE1' HG21 ' A' ' 12' ' ' VAL . 1.2 p80 -69.94 -27.65 64.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.033 -1.042 . . . . 0.0 110.526 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.589 HG21 ' CE1' ' A' ' 11' ' ' HIS . 2.3 t -65.23 -62.26 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.556 -1.34 . . . . 0.0 108.877 178.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.92 -32.24 83.28 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 2.7 mmtp -62.0 -58.07 9.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -1.164 . . . . 0.0 110.192 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.64 ' CE1' ' CG2' ' A' ' 16' ' ' VAL . 2.1 p80 -66.54 -35.71 80.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.082 -1.011 . . . . 0.0 110.031 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.64 ' CG2' ' CE1' ' A' ' 15' ' ' HIS . 6.4 t -62.25 -63.52 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.13 -0.981 . . . . 0.0 109.611 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -58.97 -37.62 91.63 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.566 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 7.0 ttpt -74.14 -72.5 0.27 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.662 -1.493 . . . . 0.0 109.739 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -40.21 -35.93 0.46 Allowed 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.481 -0.762 . . . . 0.0 109.516 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -89.31 -54.45 4.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.483 -0.761 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 17' ' ' GLY . 5.2 tt -86.02 -39.93 16.33 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.844 -1.16 . . . . 0.0 111.26 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.566 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 17.7 m . . . . . 0 N--CA 1.496 1.868 0 O-C-N 120.315 -1.491 . . . . 0.0 109.473 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.585 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 2.9 m-85 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.052 0.453 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -43.22 -74.93 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.937 -1.102 . . . . 0.0 109.585 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 11' ' ' HIS . 8.2 mttt -79.1 -44.66 21.63 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.174 -0.953 . . . . 0.0 109.649 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.525 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 2.7 tttt -51.83 -48.57 63.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.259 -0.901 . . . . 0.0 109.458 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -76.19 -44.26 38.74 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.538 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' LYS . . . -59.86 -47.09 87.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.181 -0.95 . . . . 0.0 109.268 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 7' ' ' LYS . 17.8 m-70 -69.47 -35.62 75.79 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.392 -0.817 . . . . 0.0 109.614 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 14.8 t -73.67 -48.54 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.217 -0.927 . . . . 0.0 109.737 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.27 -34.35 87.78 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.1 mmtm -72.33 -53.32 12.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.369 -1.077 . . . . 0.0 110.05 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -60.89 -46.21 91.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.212 -0.93 . . . . 0.0 109.987 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.3 t -67.46 -45.35 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.85 . . . . 0.0 110.121 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -59.55 -51.69 57.57 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 8.6 tttt -66.85 -34.0 76.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -1.22 . . . . 0.0 110.081 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.57 -35.29 46.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.179 -0.951 . . . . 0.0 110.363 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.08 -17.17 21.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.24 -0.913 . . . . 0.0 110.454 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -116.57 -51.48 2.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 0.0 110.247 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.502 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 31.0 m . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 110.505 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.584 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 70.0 m-85 . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.092 0.472 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 80.3 t80 -43.43 -74.48 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.943 -1.098 . . . . 0.0 109.629 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' HIS . 24.7 tttt -79.69 -43.33 22.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.109 -0.994 . . . . 0.0 109.696 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.528 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.4 ttmm -53.3 -48.19 68.58 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.249 -0.907 . . . . 0.0 109.431 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -76.52 -45.18 31.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.102 -0.999 . . . . 0.0 109.554 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.19 -45.49 92.96 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.14 -0.975 . . . . 0.0 109.211 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.667 ' CE1' ' CE1' ' A' ' 15' ' ' HIS . 17.7 t-80 -70.28 -35.74 73.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.465 -0.772 . . . . 0.0 109.604 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 15.0 t -74.17 -49.39 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.321 -0.862 . . . . 0.0 109.791 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.07 -33.28 83.02 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 66.2 tttt -73.38 -50.35 22.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.347 -1.09 . . . . 0.0 110.084 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.667 ' CE1' ' CE1' ' A' ' 11' ' ' HIS . 6.2 m170 -63.91 -44.96 91.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 0.0 109.996 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 97.3 t -70.85 -47.8 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.208 -0.932 . . . . 0.0 110.116 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 21' ' ' LEU . . . -60.14 -39.09 95.39 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 34.3 ttpt -72.03 -50.32 29.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.2 -1.176 . . . . 0.0 110.213 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.47 -15.61 62.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 0.0 110.235 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -102.29 -45.93 4.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 110.219 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.2 mt -97.54 -45.89 6.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -0.93 . . . . 0.0 110.278 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.458 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 17.8 m . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.219 -0.925 . . . . 0.0 110.207 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.579 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 6.9 m-85 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.03 0.443 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -42.3 -73.06 0.05 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.999 -1.063 . . . . 0.0 109.525 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 1.1 mptt -79.17 -46.39 18.02 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.198 -0.939 . . . . 0.0 109.723 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.531 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -51.19 -48.46 61.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.214 -0.929 . . . . 0.0 109.365 179.344 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -75.58 -43.55 47.74 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.216 -0.994 . . . . 0.0 109.449 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.37 -47.01 87.88 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.142 -0.974 . . . . 0.0 109.34 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 70.5 m-70 -70.21 -34.74 73.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.331 -0.856 . . . . 0.0 109.721 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 17.9 t -74.75 -49.67 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.266 -0.896 . . . . 0.0 109.807 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.31 -33.06 81.26 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 33.5 ttpt -74.49 -52.07 12.99 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -1.115 . . . . 0.0 110.026 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -63.05 -44.35 96.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.102 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.457 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 61.3 t -73.05 -46.1 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 0.0 110.191 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -61.82 -35.11 90.81 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 3.7 ttpt -77.63 -53.57 7.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -1.133 . . . . 0.0 110.139 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.55 -19.72 66.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -0.878 . . . . 0.0 110.18 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -102.19 -44.25 5.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.258 -0.902 . . . . 0.0 110.199 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -94.34 -48.08 6.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 0.0 110.188 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.451 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 29.6 m . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.242 -0.911 . . . . 0.0 110.2 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.654 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 110.534 -0.172 . . . . 0.0 110.534 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.567 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 5.4 m-85 -65.02 -51.48 61.38 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 119.119 -2.238 . . . . 0.0 108.364 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -89.26 -48.12 7.58 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.56 -1.338 . . . . 0.0 110.451 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.537 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -63.48 -39.78 95.36 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 118.332 -1.347 . . . . 0.0 109.223 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.654 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -78.26 -37.54 44.83 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 117.574 -1.65 . . . . 0.0 109.299 178.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 6' ' ' PHE . . . -55.35 -56.65 17.67 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.485 -1.384 . . . . 0.0 109.55 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.47 ' ND1' ' C ' ' A' ' 11' ' ' HIS . 0.8 OUTLIER -71.5 -28.05 63.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.031 -1.043 . . . . 0.0 110.4 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 2.4 t -65.6 -57.32 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.493 -1.379 . . . . 0.0 108.853 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.27 -32.39 81.96 Favored Glycine 0 N--CA 1.487 2.091 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CE ' ' C ' ' A' ' 10' ' ' ALA . 18.3 mtmt -61.35 -54.85 38.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.294 -1.121 . . . . 0.0 110.151 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 16' ' ' VAL . 3.9 p-80 -70.57 -37.86 74.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.059 -1.026 . . . . 0.0 109.879 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 15' ' ' HIS . 13.8 t -56.52 -52.35 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.221 -0.924 . . . . 0.0 109.622 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -70.06 -50.83 26.39 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 22' ' ' THR . 4.8 mptt -44.39 -42.69 7.1 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.977 -1.308 . . . . 0.0 108.738 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.92 -72.87 0.38 Allowed 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.714 -1.241 . . . . 0.0 110.245 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.59 -25.43 1.14 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.786 -0.571 . . . . 0.0 110.158 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 17' ' ' GLY . 7.1 tt -108.5 -38.21 5.75 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.154 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 120.363 -1.46 . . . . 0.0 111.066 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -89.56 -38.75 13.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.688 -1.478 . . . . 0.0 110.218 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 6' ' ' PHE . . . -48.91 -37.62 22.33 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -47.78 -86.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.309 -1.112 . . . . 0.0 110.136 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.582 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 79.6 m-85 -34.95 -47.11 0.34 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.729 -0.607 . . . . 0.0 110.567 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -43.75 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.961 -1.087 . . . . 0.0 109.494 179.555 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 1.3 mptp? -79.36 -43.05 24.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.242 -0.911 . . . . 0.0 109.722 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 4' ' ' SER . 10.6 tptt -52.87 -48.52 67.04 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.246 -0.909 . . . . 0.0 109.325 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -76.32 -45.14 33.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.091 -1.006 . . . . 0.0 109.504 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -59.77 -45.84 91.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.114 -0.992 . . . . 0.0 109.288 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 15.2 m-70 -70.27 -35.41 73.73 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.388 -0.82 . . . . 0.0 109.61 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 15.6 t -74.58 -49.77 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.201 -0.937 . . . . 0.0 109.717 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.53 -33.65 85.27 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 6.5 ttmm -73.64 -53.69 9.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.301 -1.117 . . . . 0.0 110.021 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -61.69 -39.29 90.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.292 -0.88 . . . . 0.0 110.016 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 48.5 t -72.74 -48.0 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 110.157 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -58.79 -45.34 95.06 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.505 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 12.1 mttt -70.71 -46.01 63.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.209 -1.171 . . . . 0.0 110.196 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 23' ' ' HIS . . . -69.74 -28.77 66.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -0.876 . . . . 0.0 110.211 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 24' ' ' TYR . . . -97.08 -29.43 13.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.942 . . . . 0.0 110.585 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 1.5 tt -108.87 -49.63 3.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.003 -1.061 . . . . 0.0 110.333 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.505 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 56.5 m -77.62 -4.22 44.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.219 -0.926 . . . . 0.0 110.347 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.458 ' HB3' ' O ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -125.95 -59.47 1.34 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 110.359 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 3.4 t80 -43.41 -30.54 0.55 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.129 -0.982 . . . . 0.0 110.172 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.02 -166.7 1.2 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.245 -0.91 . . . . 0.0 110.208 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.575 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 11.9 p-90 -151.65 -48.62 0.11 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.229 -1.16 . . . . 0.0 110.173 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 6' ' ' PHE . . . -57.77 -46.96 91.7 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.512 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 1.4 m -47.42 -79.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.259 -1.142 . . . . 0.0 110.177 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.649 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 11.9 m-85 -38.05 -45.36 0.9 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.696 -0.628 . . . . 0.0 109.682 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.555 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 3.7 m-85 -48.12 -46.09 33.74 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 120.104 -1.623 . . . . 0.0 108.582 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 4' ' ' SER . 7.9 ttpt -86.21 -63.47 1.31 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.88 -1.137 . . . . 0.0 110.375 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -51.53 -42.89 62.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 118.552 -1.259 . . . . 0.0 109.038 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.649 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -72.36 -40.43 67.33 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.39 -1.324 . . . . 0.0 109.408 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 6' ' ' PHE . . . -51.42 -58.0 7.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.7 -1.25 . . . . 0.0 109.842 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.602 ' CD2' ' HA ' ' A' ' 8' ' ' LYS . 3.0 p80 -72.46 -27.41 62.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.025 -1.047 . . . . 0.0 110.393 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.579 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 2.2 t -66.67 -51.38 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.699 -1.25 . . . . 0.0 108.794 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.36 -30.05 65.29 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 10.5 tppt? -67.82 -41.56 82.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -1.121 . . . . 0.0 110.056 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.629 ' CD2' ' N ' ' A' ' 16' ' ' VAL . 1.9 p-80 -81.34 -39.94 24.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.935 -1.103 . . . . 0.0 109.583 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' N ' ' CD2' ' A' ' 15' ' ' HIS . 15.9 t -62.95 -40.66 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.171 -0.956 . . . . 0.0 109.084 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -77.56 -53.03 5.23 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 22' ' ' THR . 2.4 mmpt? -46.51 -44.37 17.65 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.852 -1.381 . . . . 0.0 108.558 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.635 ' CA ' ' HB3' ' A' ' 23' ' ' HIS . . . -79.14 -70.61 0.49 Allowed 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.812 -1.18 . . . . 0.0 110.371 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -49.71 -25.87 3.31 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.808 -0.557 . . . . 0.0 110.204 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.63 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.8 tt -107.69 -37.5 6.13 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.217 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -110.81 -3.89 15.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.44 -1.413 . . . . 0.0 111.098 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.635 ' HB3' ' CA ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -67.34 -30.22 69.98 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 177.341 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.63 ' CE2' ' HA ' ' A' ' 21' ' ' LEU . 2.0 p90 -92.1 2.35 56.64 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 118.569 -1.252 . . . . 0.0 109.896 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt 54.09 76.08 0.25 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.983 -1.073 . . . . 0.0 110.243 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . 0.446 ' N ' ' CE1' ' A' ' 24' ' ' TYR . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.555 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 68.5 t-105 56.93 17.46 3.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -1.133 . . . . 0.0 110.236 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' PHE . . . -57.28 -48.31 81.24 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.506 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -40.54 -81.3 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.275 -1.132 . . . . 0.0 110.161 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.648 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 22.2 m-85 -38.86 -42.16 0.81 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.687 -0.633 . . . . 0.0 110.039 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -47.65 -52.72 17.13 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 120.18 -1.575 . . . . 0.0 108.384 179.455 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 6' ' ' PHE . 17.8 tttp -82.7 -59.46 2.5 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.956 -1.09 . . . . 0.0 110.976 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.591 ' HA ' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -55.88 -41.44 74.44 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 118.511 -1.276 . . . . 0.0 109.641 -179.652 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.648 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -73.24 -40.06 64.97 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 118.196 -1.401 . . . . 0.0 109.055 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 6' ' ' PHE . . . -52.61 -59.08 4.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.934 -1.104 . . . . 0.0 109.639 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.591 ' CE1' ' HA ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -70.15 -27.29 64.42 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.474 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.575 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 3.4 t -69.85 -50.33 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.657 -1.277 . . . . 0.0 109.009 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.15 -31.93 72.34 Favored Glycine 0 N--CA 1.487 2.089 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -68.55 -53.05 25.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.138 -1.213 . . . . 0.0 110.108 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.628 ' CD2' ' N ' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -67.97 -39.69 83.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.755 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.628 ' N ' ' CD2' ' A' ' 15' ' ' HIS . 15.9 t -66.15 -46.27 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.122 -0.986 . . . . 0.0 109.182 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -59.74 -56.99 21.8 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.583 ' CD ' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -59.67 -44.44 93.59 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.367 -1.667 . . . . 0.0 108.834 179.463 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.583 ' N ' ' CD ' ' A' ' 18' ' ' LYS . . . -45.11 -62.79 1.11 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 110.479 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 -11.51 29.41 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.973 -1.079 . . . . 0.0 112.291 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 17' ' ' GLY . 13.3 mt -110.38 -39.74 4.86 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.585 -1.322 . . . . 0.0 111.339 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 18' ' ' LYS . 1.8 m -66.89 -34.11 77.06 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.619 -1.301 . . . . 0.0 110.217 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.574 ' C ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 172.63 29.28 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.753 -1.217 . . . . 0.0 110.821 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.574 ' CG ' ' C ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER 57.76 18.57 4.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.917 -1.114 . . . . 0.0 108.829 179.027 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.38 24.06 2.35 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.143 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . 0.417 ' N ' ' HA ' ' A' ' 19' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -110.21 -25.75 10.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.297 -1.119 . . . . 0.0 110.232 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' SER . . . -53.3 -41.15 61.82 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.514 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -43.05 -90.26 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -1.146 . . . . 0.0 110.238 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.654 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 19.7 m-85 -38.32 -44.38 0.89 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.739 -0.601 . . . . 0.0 109.717 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.563 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 5.0 m-85 -48.19 -46.22 34.68 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 120.21 -1.556 . . . . 0.0 108.589 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 4' ' ' SER . 6.1 ttpt -86.48 -62.88 1.41 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.803 -1.186 . . . . 0.0 110.352 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.598 ' HA ' ' CE1' ' A' ' 11' ' ' HIS . 3.5 ptpt -51.86 -42.61 62.76 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.104 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.654 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -72.44 -40.92 66.7 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.327 -1.349 . . . . 0.0 109.283 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 6' ' ' PHE . . . -51.78 -58.86 5.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.655 -1.278 . . . . 0.0 109.843 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' CE1' ' HA ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -70.63 -28.05 64.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.011 -1.056 . . . . 0.0 110.311 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 3.3 t -68.73 -56.39 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.588 -1.32 . . . . 0.0 108.804 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.71 -34.46 89.71 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 8.6 tttt -67.3 -37.23 83.03 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.33 -1.1 . . . . 0.0 109.781 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.531 ' CD2' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -71.99 -46.5 57.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.976 -1.077 . . . . 0.0 109.314 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.531 HG22 ' CD2' ' A' ' 15' ' ' HIS . 99.4 t -62.55 -52.62 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.842 . . . . 0.0 109.595 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -60.85 -43.1 99.68 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.557 ' O ' ' HB ' ' A' ' 22' ' ' THR . 1.3 ttpm? -72.49 -72.16 0.25 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.668 -1.489 . . . . 0.0 109.647 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.612 ' O ' ' CA ' ' A' ' 24' ' ' TYR . . . -40.02 -37.37 0.58 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.462 -0.774 . . . . 0.0 109.84 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -89.98 -47.55 7.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.276 -0.89 . . . . 0.0 111.434 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 17' ' ' GLY . 11.6 mt -91.95 -41.84 10.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.788 -1.195 . . . . 0.0 110.673 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 8.9 m -51.73 -37.42 51.01 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.626 -1.296 . . . . 0.0 109.446 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.582 ' C ' ' CG ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER 176.39 23.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.743 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.612 ' CA ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER 57.05 19.08 4.42 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.626 -1.297 . . . . 0.0 108.621 179.084 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' CB ' ' O ' ' A' ' 24' ' ' TYR . 1.5 tp 65.67 125.97 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.232 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.907 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER 65.62 12.09 7.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.61 -1.523 . . . . 0.0 110.232 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.47 -42.59 43.45 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -45.45 -86.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -1.159 . . . . 0.0 110.132 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.583 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 46.5 m-85 -35.46 -46.26 0.38 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.589 -0.695 . . . . 0.0 110.478 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.01 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.942 -1.099 . . . . 0.0 109.531 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -79.6 -41.94 26.0 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.175 -0.953 . . . . 0.0 109.784 179.319 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -53.96 -48.36 70.37 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.302 -0.874 . . . . 0.0 109.35 179.19 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.583 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -76.48 -45.09 32.6 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.118 -0.989 . . . . 0.0 109.573 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.39 -46.01 91.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.176 -0.952 . . . . 0.0 109.184 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.401 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 55.8 t-80 -69.55 -35.86 75.82 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.463 -0.773 . . . . 0.0 109.629 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 14.8 t -73.95 -51.99 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.171 -0.956 . . . . 0.0 109.644 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' O ' HG22 ' A' ' 16' ' ' VAL . . . -64.26 -34.22 89.35 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 2.5 tpmt? -72.55 -48.16 42.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -1.138 . . . . 0.0 110.022 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -62.63 -44.23 96.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.295 -0.878 . . . . 0.0 110.099 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 9.7 m -71.36 -42.54 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 110.09 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -63.39 -38.58 96.62 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 15.7 tttt -75.12 -53.9 8.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -1.146 . . . . 0.0 110.219 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HA ' ' HB2' ' A' ' 23' ' ' HIS . . . -64.0 -22.69 67.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.926 . . . . 0.0 110.223 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -99.59 -40.81 7.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.0 110.184 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -99.13 -48.97 4.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.218 -0.926 . . . . 0.0 110.222 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.502 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 85.1 m -75.54 -3.86 36.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.199 -0.938 . . . . 0.0 110.22 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 1.3 m170 -127.53 -62.12 1.1 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.263 -0.898 . . . . 0.0 110.26 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -61.12 -21.87 64.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.221 -0.925 . . . . 0.0 110.144 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.72 26.51 5.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.191 -0.943 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 3' ' ' GLY . 11.1 m0 -101.83 -62.71 1.22 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.194 -1.18 . . . . 0.0 110.236 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 6' ' ' PHE . . . -44.47 -39.44 5.74 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -47.38 -86.15 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.249 -1.148 . . . . 0.0 110.113 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.583 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 4.6 m-85 -35.19 -47.57 0.4 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.642 -0.661 . . . . 0.0 110.596 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 2.4 m-85 -43.4 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.949 -1.094 . . . . 0.0 109.509 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 12.3 mptt -79.18 -44.14 22.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.198 -0.939 . . . . 0.0 109.651 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.534 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -51.99 -48.86 64.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.252 -0.905 . . . . 0.0 109.415 179.159 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.583 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -75.86 -44.3 41.42 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.509 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -59.96 -48.38 81.94 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.074 -1.016 . . . . 0.0 109.268 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.464 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 18.7 m-70 -67.85 -36.3 80.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.401 -0.812 . . . . 0.0 109.609 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 9.0 t -70.93 -58.64 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 109.662 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 16' ' ' VAL . . . -58.55 -36.21 84.03 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 16.7 tttt -65.58 -52.13 54.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.331 -1.1 . . . . 0.0 109.921 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.527 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.8 t-160 -62.19 -58.5 7.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 0.0 109.915 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.512 ' CG2' ' N ' ' A' ' 17' ' ' GLY . 5.7 m -53.57 -42.6 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 110.093 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -69.08 -71.07 1.03 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.528 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 1.2 tttt -47.69 -23.28 0.66 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.081 -1.246 . . . . 0.0 110.176 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -86.36 -63.9 1.24 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.147 -0.971 . . . . 0.0 110.746 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' C ' ' HB2' ' A' ' 24' ' ' TYR . . . -87.49 5.67 37.9 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.841 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 2.0 tt -120.11 -54.34 2.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.121 -0.987 . . . . 0.0 110.052 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.528 ' CG2' ' HA ' ' A' ' 18' ' ' LYS . 7.7 p -96.27 -17.15 20.94 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.193 -0.942 . . . . 0.0 110.308 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.462 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 14.9 t-160 -113.55 -9.89 13.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.131 -0.981 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 19' ' ' ALA . 14.3 t80 -42.83 -52.78 4.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.277 -0.89 . . . . 0.0 110.169 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.97 -7.44 52.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -132.65 23.81 4.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.214 -1.168 . . . . 0.0 110.214 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.6 -48.18 86.1 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -47.29 -76.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -1.168 . . . . 0.0 110.164 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.648 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 16.4 m-85 -38.04 -45.93 0.95 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.703 -0.623 . . . . 0.0 109.992 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.561 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 2.8 m-85 -51.5 -47.22 63.32 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 119.866 -1.771 . . . . 0.0 108.528 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 4' ' ' SER . 26.5 mtmm -85.95 -63.61 1.29 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.785 -1.197 . . . . 0.0 110.492 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.587 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -50.93 -41.42 58.82 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.447 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.648 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -74.61 -41.67 60.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.392 -1.442 . . . . 0.0 109.355 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 6' ' ' PHE . . . -51.7 -59.52 4.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.773 -1.204 . . . . 0.0 109.754 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.589 ' CE1' HG21 ' A' ' 12' ' ' VAL . 1.2 p80 -69.94 -27.65 64.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.033 -1.042 . . . . 0.0 110.526 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.589 HG21 ' CE1' ' A' ' 11' ' ' HIS . 2.3 t -65.23 -62.26 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.556 -1.34 . . . . 0.0 108.877 178.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.92 -32.24 83.28 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 2.7 mmtp -62.0 -58.07 9.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -1.164 . . . . 0.0 110.192 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.64 ' CE1' ' CG2' ' A' ' 16' ' ' VAL . 2.1 p80 -66.54 -35.71 80.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.082 -1.011 . . . . 0.0 110.031 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.64 ' CG2' ' CE1' ' A' ' 15' ' ' HIS . 6.4 t -62.25 -63.52 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.13 -0.981 . . . . 0.0 109.611 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -58.97 -37.62 91.63 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.566 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 7.0 ttpt -74.14 -72.5 0.27 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.662 -1.493 . . . . 0.0 109.739 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.607 ' O ' ' CA ' ' A' ' 24' ' ' TYR . . . -40.21 -35.93 0.46 Allowed 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.481 -0.762 . . . . 0.0 109.516 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.542 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -89.31 -54.45 4.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.483 -0.761 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 17' ' ' GLY . 5.2 tt -86.02 -39.93 16.33 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.844 -1.16 . . . . 0.0 111.26 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.572 HG22 ' CG ' ' A' ' 23' ' ' HIS . 17.7 m -53.33 -38.05 62.87 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.315 -1.491 . . . . 0.0 109.473 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.572 ' CG ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER 176.42 23.43 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 118.879 -1.128 . . . . 0.0 112.024 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.607 ' CA ' ' O ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER 55.46 19.53 3.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.628 -1.295 . . . . 0.0 109.119 178.684 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -95.48 62.6 2.42 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.221 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.919 -1.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -125.74 36.9 4.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.212 -1.17 . . . . 0.0 110.213 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 2' ' ' TRP . . . -43.94 -41.14 5.85 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 8' ' ' LYS . 2.9 m -45.74 -85.28 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.231 -1.158 . . . . 0.0 110.112 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.585 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 2.9 m-85 -35.57 -47.79 0.48 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.671 -0.643 . . . . 0.0 110.494 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -43.22 -74.93 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.937 -1.102 . . . . 0.0 109.585 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 11' ' ' HIS . 8.2 mttt -79.1 -44.66 21.63 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.174 -0.953 . . . . 0.0 109.649 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.525 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 2.7 tttt -51.83 -48.57 63.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.259 -0.901 . . . . 0.0 109.458 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -76.19 -44.26 38.74 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.538 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' LYS . . . -59.86 -47.09 87.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.181 -0.95 . . . . 0.0 109.268 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 7' ' ' LYS . 17.8 m-70 -69.47 -35.62 75.79 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.392 -0.817 . . . . 0.0 109.614 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 14.8 t -73.67 -48.54 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.217 -0.927 . . . . 0.0 109.737 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.27 -34.35 87.78 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.1 mmtm -72.33 -53.32 12.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.369 -1.077 . . . . 0.0 110.05 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -60.89 -46.21 91.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.212 -0.93 . . . . 0.0 109.987 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.3 t -67.46 -45.35 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.85 . . . . 0.0 110.121 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -59.55 -51.69 57.57 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 8.6 tttt -66.85 -34.0 76.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -1.22 . . . . 0.0 110.081 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 23' ' ' HIS . . . -78.57 -35.29 46.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.179 -0.951 . . . . 0.0 110.363 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 24' ' ' TYR . . . -96.08 -17.17 21.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.24 -0.913 . . . . 0.0 110.454 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -116.57 -51.48 2.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 0.0 110.247 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.502 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 31.0 m -81.72 -6.52 59.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 110.505 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.467 ' HB3' ' O ' ' A' ' 19' ' ' ALA . 3.0 t60 -123.77 -41.17 2.26 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.069 -1.02 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.525 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 21.0 t80 -42.87 -61.22 1.33 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.252 -0.905 . . . . 0.0 110.226 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 4.3 mm? 49.23 -91.05 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.0 110.218 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . 0.492 ' N ' ' O ' ' A' ' 24' ' ' TYR . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -104.29 -17.57 14.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.288 -1.124 . . . . 0.0 110.251 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.466 ' O ' ' HB3' ' A' ' 6' ' ' PHE . . . -57.77 -39.25 91.08 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 8' ' ' LYS . 1.3 t -50.42 -86.7 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.261 -1.14 . . . . 0.0 110.213 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.584 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 70.0 m-85 -35.18 -47.65 0.4 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.664 -0.648 . . . . 0.0 110.54 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 80.3 t80 -43.43 -74.48 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.943 -1.098 . . . . 0.0 109.629 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' HIS . 24.7 tttt -79.69 -43.33 22.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.109 -0.994 . . . . 0.0 109.696 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 4' ' ' SER . 7.4 ttmm -53.3 -48.19 68.58 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.249 -0.907 . . . . 0.0 109.431 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -76.52 -45.18 31.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.102 -0.999 . . . . 0.0 109.554 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.19 -45.49 92.96 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.14 -0.975 . . . . 0.0 109.211 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.667 ' CE1' ' CE1' ' A' ' 15' ' ' HIS . 17.7 t-80 -70.28 -35.74 73.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.465 -0.772 . . . . 0.0 109.604 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 15.0 t -74.17 -49.39 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.321 -0.862 . . . . 0.0 109.791 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.07 -33.28 83.02 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 66.2 tttt -73.38 -50.35 22.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.347 -1.09 . . . . 0.0 110.084 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.667 ' CE1' ' CE1' ' A' ' 11' ' ' HIS . 6.2 m170 -63.91 -44.96 91.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 0.0 109.996 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 97.3 t -70.85 -47.8 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.208 -0.932 . . . . 0.0 110.116 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 21' ' ' LEU . . . -60.14 -39.09 95.39 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' HIS . 34.3 ttpt -72.03 -50.32 29.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.2 -1.176 . . . . 0.0 110.213 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' HA ' ' CB ' ' A' ' 23' ' ' HIS . . . -70.47 -15.61 62.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 0.0 110.235 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -102.29 -45.93 4.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 110.219 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.2 mt -97.54 -45.89 6.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -0.93 . . . . 0.0 110.278 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.458 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 17.8 m -79.8 -5.2 54.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.219 -0.925 . . . . 0.0 110.207 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 19' ' ' ALA . 2.4 t-160 -136.39 -44.56 0.62 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.29 -0.881 . . . . 0.0 110.184 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 62.07 19.73 11.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -0.939 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 mt 53.14 23.04 2.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 110.22 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.476 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -172.83 31.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.32 -1.106 . . . . 0.0 110.171 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 4' ' ' SER . . . -46.27 -42.97 13.54 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 8' ' ' LYS . 4.5 t -43.71 -85.89 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -1.166 . . . . 0.0 110.189 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.579 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 6.9 m-85 -35.16 -49.25 0.47 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.571 -0.706 . . . . 0.0 110.674 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -42.3 -73.06 0.05 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.999 -1.063 . . . . 0.0 109.525 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 1.1 mptt -79.17 -46.39 18.02 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.198 -0.939 . . . . 0.0 109.723 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -51.19 -48.46 61.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.214 -0.929 . . . . 0.0 109.365 179.344 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -75.58 -43.55 47.74 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.216 -0.994 . . . . 0.0 109.449 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.37 -47.01 87.88 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.142 -0.974 . . . . 0.0 109.34 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 70.5 m-70 -70.21 -34.74 73.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.331 -0.856 . . . . 0.0 109.721 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 17.9 t -74.75 -49.67 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.266 -0.896 . . . . 0.0 109.807 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.31 -33.06 81.26 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 33.5 ttpt -74.49 -52.07 12.99 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -1.115 . . . . 0.0 110.026 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -63.05 -44.35 96.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.102 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.457 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 61.3 t -73.05 -46.1 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 0.0 110.191 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -61.82 -35.11 90.81 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 3.7 ttpt -77.63 -53.57 7.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -1.133 . . . . 0.0 110.139 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 23' ' ' HIS . . . -65.55 -19.72 66.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -0.878 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -102.19 -44.25 5.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.258 -0.902 . . . . 0.0 110.199 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -94.34 -48.08 6.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 0.0 110.188 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.451 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 29.6 m -78.07 -5.67 52.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.242 -0.911 . . . . 0.0 110.2 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 19' ' ' ALA . 2.5 t-160 -138.52 -47.17 0.51 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.903 . . . . 0.0 110.201 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.44 22.3 10.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.19 -0.944 . . . . 0.0 110.202 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.71 77.7 2.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.252 -0.905 . . . . 0.0 110.206 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.872 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.417 ' O ' ' N ' ' A' ' 4' ' ' SER . 1.9 m95 -102.64 -56.81 2.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.217 -1.166 . . . . 0.0 110.199 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 2' ' ' TRP . . . -43.37 -27.06 0.7 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 2' ' ' TRP . 8.3 m -53.14 -90.39 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.199 -1.177 . . . . 0.0 110.177 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.654 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -47.93 -16.94 0.09 Allowed 'General case' 0 N--CA 1.483 1.202 0 O-C-N 121.461 -0.774 . . . . 0.0 110.534 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.567 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 5.4 m-85 -65.02 -51.48 61.38 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 119.119 -2.238 . . . . 0.0 108.364 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -89.26 -48.12 7.58 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.56 -1.338 . . . . 0.0 110.451 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.537 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -63.48 -39.78 95.36 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 118.332 -1.347 . . . . 0.0 109.223 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.654 ' CB ' ' O ' ' A' ' 5' ' ' PHE . . . -78.26 -37.54 44.83 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 117.574 -1.65 . . . . 0.0 109.299 178.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 6' ' ' PHE . . . -55.35 -56.65 17.67 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.485 -1.384 . . . . 0.0 109.55 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.47 ' ND1' ' C ' ' A' ' 11' ' ' HIS . 0.8 OUTLIER -71.5 -28.05 63.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.031 -1.043 . . . . 0.0 110.4 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 8' ' ' LYS . 2.4 t -65.6 -57.32 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.493 -1.379 . . . . 0.0 108.853 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.27 -32.39 81.96 Favored Glycine 0 N--CA 1.487 2.091 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CE ' ' C ' ' A' ' 10' ' ' ALA . 18.3 mtmt -61.35 -54.85 38.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.294 -1.121 . . . . 0.0 110.151 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 16' ' ' VAL . 3.9 p-80 -70.57 -37.86 74.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.059 -1.026 . . . . 0.0 109.879 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 15' ' ' HIS . 13.8 t -56.52 -52.35 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.221 -0.924 . . . . 0.0 109.622 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -70.06 -50.83 26.39 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 22' ' ' THR . 4.8 mptt -44.39 -42.69 7.1 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.977 -1.308 . . . . 0.0 108.738 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.604 ' O ' ' N ' ' A' ' 23' ' ' HIS . . . -79.92 -72.87 0.38 Allowed 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.714 -1.241 . . . . 0.0 110.245 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 24' ' ' TYR . . . -47.59 -25.43 1.14 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.786 -0.571 . . . . 0.0 110.158 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.585 ' O ' ' CZ ' ' A' ' 24' ' ' TYR . 7.1 tt -108.5 -38.21 5.75 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.154 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -110.55 -3.4 15.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.363 -1.46 . . . . 0.0 111.066 179.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.604 ' N ' ' O ' ' A' ' 19' ' ' ALA . 4.2 p-80 -67.3 -30.61 70.52 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 105.089 -2.189 . . . . 0.0 105.089 177.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.585 ' CZ ' ' O ' ' A' ' 21' ' ' LEU . 2.0 p90 -91.72 2.65 56.34 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 118.426 -1.31 . . . . 0.0 109.875 178.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.2 91.07 8.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.1 -1.0 . . . . 0.0 110.178 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.802 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 79.6 m-85 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.087 0.47 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.456 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -43.75 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.961 -1.087 . . . . 0.0 109.494 179.555 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.514 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 1.3 mptp? -79.36 -43.05 24.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.242 -0.911 . . . . 0.0 109.722 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.6 tptt -52.87 -48.52 67.04 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.246 -0.909 . . . . 0.0 109.325 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.802 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.32 -45.14 33.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.091 -1.006 . . . . 0.0 109.504 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -59.77 -45.84 91.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.114 -0.992 . . . . 0.0 109.288 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.494 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 8.4 m80 -70.27 -35.41 73.73 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.388 -0.82 . . . . 0.0 109.61 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 8' ' ' LYS . 15.6 t -74.58 -49.77 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.201 -0.937 . . . . 0.0 109.717 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.53 -33.65 85.27 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 6.5 ttmm -73.64 -53.69 9.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.301 -1.117 . . . . 0.0 110.021 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -61.69 -39.29 90.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.292 -0.88 . . . . 0.0 110.016 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.441 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 48.5 t -72.74 -48.0 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 110.157 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -58.79 -45.34 95.06 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 12.1 mttt -70.71 -46.01 63.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.209 -1.171 . . . . 0.0 110.196 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.74 -28.77 66.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -0.876 . . . . 0.0 110.211 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -97.08 -29.43 13.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.942 . . . . 0.0 110.585 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 1.5 tt -108.87 -49.63 3.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.003 -1.061 . . . . 0.0 110.333 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.546 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 56.5 m . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.219 -0.926 . . . . 0.0 110.347 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.889 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 11.9 m-85 . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.863 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 3.7 m-85 -48.12 -46.09 33.74 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 120.104 -1.623 . . . . 0.0 108.582 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -86.21 -63.47 1.31 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.88 -1.137 . . . . 0.0 110.375 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -51.53 -42.89 62.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 118.552 -1.259 . . . . 0.0 109.038 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.889 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -72.36 -40.43 67.33 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.39 -1.324 . . . . 0.0 109.408 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.863 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -51.42 -58.0 7.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.7 -1.25 . . . . 0.0 109.842 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.76 ' CE1' HG23 ' A' ' 12' ' ' VAL . 3.0 p80 -72.46 -27.41 62.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.025 -1.047 . . . . 0.0 110.393 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.76 HG23 ' CE1' ' A' ' 11' ' ' HIS . 2.2 t -66.67 -51.38 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.699 -1.25 . . . . 0.0 108.794 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.36 -30.05 65.29 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 10.5 tppt? -67.82 -41.56 82.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -1.121 . . . . 0.0 110.056 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.911 ' NE2' HG23 ' A' ' 16' ' ' VAL . 1.9 p-80 -81.34 -39.94 24.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.935 -1.103 . . . . 0.0 109.583 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.911 HG23 ' NE2' ' A' ' 15' ' ' HIS . 15.9 t -62.95 -40.66 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.171 -0.956 . . . . 0.0 109.084 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -77.56 -53.03 5.23 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 22' ' ' THR . 2.4 mmpt? -46.51 -44.37 17.65 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.852 -1.381 . . . . 0.0 108.558 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.14 -70.61 0.49 Allowed 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.812 -1.18 . . . . 0.0 110.371 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -49.71 -25.87 3.31 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.808 -0.557 . . . . 0.0 110.204 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' A' ' 17' ' ' GLY . 1.8 tt -107.69 -37.5 6.13 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.217 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 O-C-N 120.44 -1.413 . . . . 0.0 111.098 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.882 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 22.2 m-85 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.8 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -47.65 -52.72 17.13 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 120.18 -1.575 . . . . 0.0 108.384 179.455 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 6' ' ' PHE . 17.8 tttp -82.7 -59.46 2.5 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.956 -1.09 . . . . 0.0 110.976 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.556 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -55.88 -41.44 74.44 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 118.511 -1.276 . . . . 0.0 109.641 -179.652 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -73.24 -40.06 64.97 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 118.196 -1.401 . . . . 0.0 109.055 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.8 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -52.61 -59.08 4.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.934 -1.104 . . . . 0.0 109.639 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.63 ' CE1' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -70.15 -27.29 64.42 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.474 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.63 HG23 ' CE1' ' A' ' 11' ' ' HIS . 3.4 t -69.85 -50.33 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.657 -1.277 . . . . 0.0 109.009 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.15 -31.93 72.34 Favored Glycine 0 N--CA 1.487 2.089 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -68.55 -53.05 25.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.138 -1.213 . . . . 0.0 110.108 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.911 ' NE2' HG23 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -67.97 -39.69 83.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.755 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.911 HG23 ' NE2' ' A' ' 15' ' ' HIS . 15.9 t -66.15 -46.27 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.122 -0.986 . . . . 0.0 109.182 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.568 ' CA ' HD12 ' A' ' 21' ' ' LEU . . . -59.74 -56.99 21.8 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.59 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -59.67 -44.44 93.59 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.367 -1.667 . . . . 0.0 108.834 179.463 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 15' ' ' HIS . . . -45.11 -62.79 1.11 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 110.479 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 -11.51 29.41 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.973 -1.079 . . . . 0.0 112.291 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.568 HD12 ' CA ' ' A' ' 17' ' ' GLY . 13.3 mt -110.38 -39.74 4.86 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.585 -1.322 . . . . 0.0 111.339 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.59 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 1.8 m . . . . . 0 N--CA 1.5 2.046 0 O-C-N 120.619 -1.301 . . . . 0.0 110.217 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.879 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 19.7 m-85 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.832 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 5.0 m-85 -48.19 -46.22 34.68 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 120.21 -1.556 . . . . 0.0 108.589 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -86.48 -62.88 1.41 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.803 -1.186 . . . . 0.0 110.352 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.552 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.5 ptpt -51.86 -42.61 62.76 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.104 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.879 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -72.44 -40.92 66.7 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.327 -1.349 . . . . 0.0 109.283 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.832 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -51.78 -58.86 5.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.655 -1.278 . . . . 0.0 109.843 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.656 ' CE1' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -70.63 -28.05 64.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.011 -1.056 . . . . 0.0 110.311 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.656 HG23 ' CE1' ' A' ' 11' ' ' HIS . 3.3 t -68.73 -56.39 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.588 -1.32 . . . . 0.0 108.804 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.71 -34.46 89.71 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 8.6 tttt -67.3 -37.23 83.03 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.33 -1.1 . . . . 0.0 109.781 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.553 ' CD2' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -71.99 -46.5 57.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.976 -1.077 . . . . 0.0 109.314 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.687 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 99.4 t -62.55 -52.62 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.842 . . . . 0.0 109.595 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -60.85 -43.1 99.68 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.584 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 1.3 ttpm? -72.49 -72.16 0.25 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.668 -1.489 . . . . 0.0 109.647 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 15' ' ' HIS . . . -40.02 -37.37 0.58 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.462 -0.774 . . . . 0.0 109.84 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -89.98 -47.55 7.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.276 -0.89 . . . . 0.0 111.434 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 11.6 mt -91.95 -41.84 10.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.788 -1.195 . . . . 0.0 110.673 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.584 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 8.9 m . . . . . 0 N--CA 1.496 1.849 0 O-C-N 120.626 -1.296 . . . . 0.0 109.446 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.813 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 46.5 m-85 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.137 0.494 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.01 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.942 -1.099 . . . . 0.0 109.531 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -79.6 -41.94 26.0 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.175 -0.953 . . . . 0.0 109.784 179.319 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -53.96 -48.36 70.37 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.302 -0.874 . . . . 0.0 109.35 179.19 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.48 -45.09 32.6 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.118 -0.989 . . . . 0.0 109.573 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.39 -46.01 91.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.176 -0.952 . . . . 0.0 109.184 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.401 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 55.8 t-80 -69.55 -35.86 75.82 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.463 -0.773 . . . . 0.0 109.629 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.786 ' O ' HG13 ' A' ' 16' ' ' VAL . 14.8 t -73.95 -51.99 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.171 -0.956 . . . . 0.0 109.644 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.26 -34.22 89.35 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 2.5 tpmt? -72.55 -48.16 42.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -1.138 . . . . 0.0 110.022 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -62.63 -44.23 96.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.295 -0.878 . . . . 0.0 110.099 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.786 HG13 ' O ' ' A' ' 12' ' ' VAL . 9.7 m -71.36 -42.54 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 110.09 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.594 ' N ' HG23 ' A' ' 16' ' ' VAL . . . -63.39 -38.58 96.62 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 15.7 tttt -75.12 -53.9 8.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -1.146 . . . . 0.0 110.219 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.0 -22.69 67.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.926 . . . . 0.0 110.223 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -99.59 -40.81 7.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.0 110.184 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -99.13 -48.97 4.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.218 -0.926 . . . . 0.0 110.222 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.539 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 85.1 m . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.199 -0.938 . . . . 0.0 110.22 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.806 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 4.6 m-85 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.095 0.474 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 2.4 m-85 -43.4 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.949 -1.094 . . . . 0.0 109.509 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 12.3 mptt -79.18 -44.14 22.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.198 -0.939 . . . . 0.0 109.651 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -51.99 -48.86 64.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.252 -0.905 . . . . 0.0 109.415 179.159 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -75.86 -44.3 41.42 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.509 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -59.96 -48.38 81.94 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.074 -1.016 . . . . 0.0 109.268 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 18.7 m-70 -67.85 -36.3 80.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.401 -0.812 . . . . 0.0 109.609 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 16' ' ' VAL . 9.0 t -70.93 -58.64 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 109.662 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.468 ' HA2' ' CG2' ' A' ' 16' ' ' VAL . . . -58.55 -36.21 84.03 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 16.7 tttt -65.58 -52.13 54.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.331 -1.1 . . . . 0.0 109.921 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.527 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.8 t-160 -62.19 -58.5 7.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 0.0 109.915 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 12' ' ' VAL . 5.7 m -53.57 -42.6 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 110.093 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.589 ' N ' HG23 ' A' ' 16' ' ' VAL . . . -69.08 -71.07 1.03 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.537 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 1.2 tttt -47.69 -23.28 0.66 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.081 -1.246 . . . . 0.0 110.176 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -86.36 -63.9 1.24 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.147 -0.971 . . . . 0.0 110.746 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.49 5.67 37.9 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.841 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 2.0 tt -120.11 -54.34 2.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.121 -0.987 . . . . 0.0 110.052 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.537 ' CG2' ' HA ' ' A' ' 18' ' ' LYS . 7.7 p . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.193 -0.942 . . . . 0.0 110.308 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.907 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 16.4 m-85 . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.807 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.8 m-85 -51.5 -47.22 63.32 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 119.866 -1.771 . . . . 0.0 108.528 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -85.95 -63.61 1.29 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.785 -1.197 . . . . 0.0 110.492 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.607 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -50.93 -41.42 58.82 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.447 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -74.61 -41.67 60.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.392 -1.442 . . . . 0.0 109.355 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.807 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -51.7 -59.52 4.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.773 -1.204 . . . . 0.0 109.754 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.607 ' CD2' ' HA ' ' A' ' 8' ' ' LYS . 1.2 p80 -69.94 -27.65 64.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.033 -1.042 . . . . 0.0 110.526 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 8' ' ' LYS . 2.3 t -65.23 -62.26 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.556 -1.34 . . . . 0.0 108.877 178.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -62.92 -32.24 83.28 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HB2' ' HA ' ' A' ' 11' ' ' HIS . 2.7 mmtp -62.0 -58.07 9.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -1.164 . . . . 0.0 110.192 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.772 ' NE2' HG23 ' A' ' 16' ' ' VAL . 2.2 p-80 -66.54 -35.71 80.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.082 -1.011 . . . . 0.0 110.031 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.772 HG23 ' NE2' ' A' ' 15' ' ' HIS . 6.4 t -62.25 -63.52 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.13 -0.981 . . . . 0.0 109.611 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -58.97 -37.62 91.63 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.608 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 7.0 ttpt -74.14 -72.5 0.27 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.662 -1.493 . . . . 0.0 109.739 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 15' ' ' HIS . . . -40.21 -35.93 0.46 Allowed 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.481 -0.762 . . . . 0.0 109.516 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -89.31 -54.45 4.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.483 -0.761 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 17' ' ' GLY . 5.2 tt -86.02 -39.93 16.33 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.844 -1.16 . . . . 0.0 111.26 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.608 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 17.7 m . . . . . 0 N--CA 1.496 1.868 0 O-C-N 120.315 -1.491 . . . . 0.0 109.473 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.806 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.9 m-85 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.052 0.453 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -43.22 -74.93 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.937 -1.102 . . . . 0.0 109.585 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 8.2 mttt -79.1 -44.66 21.63 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.174 -0.953 . . . . 0.0 109.649 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.547 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.7 tttt -51.83 -48.57 63.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.259 -0.901 . . . . 0.0 109.458 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.19 -44.26 38.74 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.538 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' LYS . . . -59.86 -47.09 87.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.181 -0.95 . . . . 0.0 109.268 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 31.7 m170 -69.47 -35.62 75.79 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.392 -0.817 . . . . 0.0 109.614 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 8' ' ' LYS . 14.8 t -73.67 -48.54 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.217 -0.927 . . . . 0.0 109.737 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.27 -34.35 87.78 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.1 mmtm -72.33 -53.32 12.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.369 -1.077 . . . . 0.0 110.05 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -60.89 -46.21 91.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.212 -0.93 . . . . 0.0 109.987 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 42.3 t -67.46 -45.35 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.85 . . . . 0.0 110.121 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -59.55 -51.69 57.57 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 8.6 tttt -66.85 -34.0 76.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -1.22 . . . . 0.0 110.081 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.57 -35.29 46.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.179 -0.951 . . . . 0.0 110.363 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.08 -17.17 21.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.24 -0.913 . . . . 0.0 110.454 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -116.57 -51.48 2.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 0.0 110.247 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.544 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 31.0 m . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 110.505 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.804 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 70.0 m-85 . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.092 0.472 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 80.3 t80 -43.43 -74.48 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.943 -1.098 . . . . 0.0 109.629 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -79.69 -43.33 22.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.109 -0.994 . . . . 0.0 109.696 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.4 ttmm -53.3 -48.19 68.58 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.249 -0.907 . . . . 0.0 109.431 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.52 -45.18 31.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.102 -0.999 . . . . 0.0 109.554 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.19 -45.49 92.96 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.14 -0.975 . . . . 0.0 109.211 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.667 ' CE1' ' CE1' ' A' ' 15' ' ' HIS . 17.7 t-80 -70.28 -35.74 73.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.465 -0.772 . . . . 0.0 109.604 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 8' ' ' LYS . 15.0 t -74.17 -49.39 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.321 -0.862 . . . . 0.0 109.791 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.07 -33.28 83.02 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 66.2 tttt -73.38 -50.35 22.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.347 -1.09 . . . . 0.0 110.084 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.667 ' CE1' ' CE1' ' A' ' 11' ' ' HIS . 6.2 m170 -63.91 -44.96 91.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 0.0 109.996 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 97.3 t -70.85 -47.8 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.208 -0.932 . . . . 0.0 110.116 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 21' ' ' LEU . . . -60.14 -39.09 95.39 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 34.3 ttpt -72.03 -50.32 29.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.2 -1.176 . . . . 0.0 110.213 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.47 -15.61 62.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 0.0 110.235 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -102.29 -45.93 4.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 110.219 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.2 mt -97.54 -45.89 6.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -0.93 . . . . 0.0 110.278 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.488 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 17.8 m . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.219 -0.925 . . . . 0.0 110.207 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.79 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.9 m-85 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.03 0.443 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -42.3 -73.06 0.05 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.999 -1.063 . . . . 0.0 109.525 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 1.1 mptt -79.17 -46.39 18.02 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.198 -0.939 . . . . 0.0 109.723 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -51.19 -48.46 61.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.214 -0.929 . . . . 0.0 109.365 179.344 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -75.58 -43.55 47.74 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.216 -0.994 . . . . 0.0 109.449 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.37 -47.01 87.88 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.142 -0.974 . . . . 0.0 109.34 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 41.9 m80 -70.21 -34.74 73.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.331 -0.856 . . . . 0.0 109.721 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 8' ' ' LYS . 17.9 t -74.75 -49.67 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.266 -0.896 . . . . 0.0 109.807 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.31 -33.06 81.26 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 33.5 ttpt -74.49 -52.07 12.99 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -1.115 . . . . 0.0 110.026 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -63.05 -44.35 96.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.102 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 61.3 t -73.05 -46.1 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 0.0 110.191 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -61.82 -35.11 90.81 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 3.7 ttpt -77.63 -53.57 7.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -1.133 . . . . 0.0 110.139 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.55 -19.72 66.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -0.878 . . . . 0.0 110.18 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -102.19 -44.25 5.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.258 -0.902 . . . . 0.0 110.199 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -94.34 -48.08 6.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 0.0 110.188 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 29.6 m . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.242 -0.911 . . . . 0.0 110.2 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 1.026 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 110.534 -0.172 . . . . 0.0 110.534 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.737 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 5.4 m-85 -65.02 -51.48 61.38 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 119.119 -2.238 . . . . 0.0 108.364 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -89.26 -48.12 7.58 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.56 -1.338 . . . . 0.0 110.451 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.612 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -63.48 -39.78 95.36 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 118.332 -1.347 . . . . 0.0 109.223 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 1.026 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -78.26 -37.54 44.83 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 117.574 -1.65 . . . . 0.0 109.299 178.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -55.35 -56.65 17.67 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.485 -1.384 . . . . 0.0 109.55 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.612 ' CD2' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -71.5 -28.05 63.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.031 -1.043 . . . . 0.0 110.4 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.613 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 2.4 t -65.6 -57.32 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.493 -1.379 . . . . 0.0 108.853 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.27 -32.39 81.96 Favored Glycine 0 N--CA 1.487 2.091 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 11' ' ' HIS . 18.3 mtmt -61.35 -54.85 38.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.294 -1.121 . . . . 0.0 110.151 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.613 ' CE1' ' HA ' ' A' ' 12' ' ' VAL . 3.9 p-80 -70.57 -37.86 74.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.059 -1.026 . . . . 0.0 109.879 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.579 HG23 ' CE1' ' A' ' 15' ' ' HIS . 13.8 t -56.52 -52.35 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.221 -0.924 . . . . 0.0 109.622 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -70.06 -50.83 26.39 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.566 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 4.8 mptt -44.39 -42.69 7.1 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.977 -1.308 . . . . 0.0 108.738 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.92 -72.87 0.38 Allowed 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.714 -1.241 . . . . 0.0 110.245 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.59 -25.43 1.14 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.786 -0.571 . . . . 0.0 110.158 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' GLY . 7.1 tt -108.5 -38.21 5.75 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.154 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.566 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 120.363 -1.46 . . . . 0.0 111.066 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -89.56 -38.75 13.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.688 -1.478 . . . . 0.0 110.218 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 6' ' ' PHE . . . -48.91 -37.62 22.33 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -47.78 -86.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.309 -1.112 . . . . 0.0 110.136 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.802 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 79.6 m-85 -34.95 -47.11 0.34 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.729 -0.607 . . . . 0.0 110.567 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.478 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -43.75 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.961 -1.087 . . . . 0.0 109.494 179.555 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.514 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 1.3 mptp? -79.36 -43.05 24.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.242 -0.911 . . . . 0.0 109.722 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.6 tptt -52.87 -48.52 67.04 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.246 -0.909 . . . . 0.0 109.325 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.802 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.32 -45.14 33.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.091 -1.006 . . . . 0.0 109.504 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -59.77 -45.84 91.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.114 -0.992 . . . . 0.0 109.288 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 8.4 m80 -70.27 -35.41 73.73 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.388 -0.82 . . . . 0.0 109.61 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 8' ' ' LYS . 15.6 t -74.58 -49.77 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.201 -0.937 . . . . 0.0 109.717 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.53 -33.65 85.27 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 6.5 ttmm -73.64 -53.69 9.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.301 -1.117 . . . . 0.0 110.021 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -61.69 -39.29 90.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.292 -0.88 . . . . 0.0 110.016 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.441 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 48.5 t -72.74 -48.0 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 110.157 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -58.79 -45.34 95.06 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 12.1 mttt -70.71 -46.01 63.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.209 -1.171 . . . . 0.0 110.196 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' HA ' ' HB2' ' A' ' 23' ' ' HIS . . . -69.74 -28.77 66.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -0.876 . . . . 0.0 110.211 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 24' ' ' TYR . . . -97.08 -29.43 13.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.942 . . . . 0.0 110.585 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 1.5 tt -108.87 -49.63 3.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.003 -1.061 . . . . 0.0 110.333 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.546 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 56.5 m -77.62 -4.22 44.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.219 -0.926 . . . . 0.0 110.347 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -125.95 -59.47 1.34 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 110.359 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 3.4 t80 -43.41 -30.54 0.55 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.129 -0.982 . . . . 0.0 110.172 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.02 -166.7 1.2 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.245 -0.91 . . . . 0.0 110.208 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.575 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 11.9 p-90 -151.65 -48.62 0.11 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.229 -1.16 . . . . 0.0 110.173 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 6' ' ' PHE . . . -57.77 -46.96 91.7 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.512 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 1.4 m -47.42 -79.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.259 -1.142 . . . . 0.0 110.177 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.889 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 11.9 m-85 -38.05 -45.36 0.9 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.696 -0.628 . . . . 0.0 109.682 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.863 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 3.7 m-85 -48.12 -46.09 33.74 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 120.104 -1.623 . . . . 0.0 108.582 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 4' ' ' SER . 7.9 ttpt -86.21 -63.47 1.31 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.88 -1.137 . . . . 0.0 110.375 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -51.53 -42.89 62.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 118.552 -1.259 . . . . 0.0 109.038 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.889 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -72.36 -40.43 67.33 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.39 -1.324 . . . . 0.0 109.408 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.863 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -51.42 -58.0 7.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.7 -1.25 . . . . 0.0 109.842 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.76 ' CE1' HG23 ' A' ' 12' ' ' VAL . 3.0 p80 -72.46 -27.41 62.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.025 -1.047 . . . . 0.0 110.393 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.76 HG23 ' CE1' ' A' ' 11' ' ' HIS . 2.2 t -66.67 -51.38 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.699 -1.25 . . . . 0.0 108.794 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.36 -30.05 65.29 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 10.5 tppt? -67.82 -41.56 82.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -1.121 . . . . 0.0 110.056 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.911 ' NE2' HG23 ' A' ' 16' ' ' VAL . 1.9 p-80 -81.34 -39.94 24.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.935 -1.103 . . . . 0.0 109.583 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.911 HG23 ' NE2' ' A' ' 15' ' ' HIS . 15.9 t -62.95 -40.66 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.171 -0.956 . . . . 0.0 109.084 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -77.56 -53.03 5.23 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 22' ' ' THR . 2.4 mmpt? -46.51 -44.37 17.65 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.852 -1.381 . . . . 0.0 108.558 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.666 ' HA ' ' HB3' ' A' ' 23' ' ' HIS . . . -79.14 -70.61 0.49 Allowed 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.812 -1.18 . . . . 0.0 110.371 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -49.71 -25.87 3.31 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.808 -0.557 . . . . 0.0 110.204 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.681 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.8 tt -107.69 -37.5 6.13 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.217 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -110.81 -3.89 15.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.44 -1.413 . . . . 0.0 111.098 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.666 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 2.8 p-80 -67.34 -30.22 69.98 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.681 ' CE2' ' HA ' ' A' ' 21' ' ' LEU . 2.0 p90 -92.1 2.35 56.64 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 118.569 -1.252 . . . . 0.0 109.896 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt 54.09 76.08 0.25 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.983 -1.073 . . . . 0.0 110.243 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . 0.446 ' N ' ' CE1' ' A' ' 24' ' ' TYR . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.555 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 68.5 t-105 56.93 17.46 3.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -1.133 . . . . 0.0 110.236 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' PHE . . . -57.28 -48.31 81.24 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.506 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -40.54 -81.3 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.275 -1.132 . . . . 0.0 110.161 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.882 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 22.2 m-85 -38.86 -42.16 0.81 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.687 -0.633 . . . . 0.0 110.039 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.8 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -47.65 -52.72 17.13 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 120.18 -1.575 . . . . 0.0 108.384 179.455 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 6' ' ' PHE . 17.8 tttp -82.7 -59.46 2.5 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.956 -1.09 . . . . 0.0 110.976 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.556 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -55.88 -41.44 74.44 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 118.511 -1.276 . . . . 0.0 109.641 -179.652 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -73.24 -40.06 64.97 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 118.196 -1.401 . . . . 0.0 109.055 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.8 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -52.61 -59.08 4.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.934 -1.104 . . . . 0.0 109.639 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.63 ' CE1' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -70.15 -27.29 64.42 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.474 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG23 ' CE1' ' A' ' 11' ' ' HIS . 3.4 t -69.85 -50.33 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.657 -1.277 . . . . 0.0 109.009 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.15 -31.93 72.34 Favored Glycine 0 N--CA 1.487 2.089 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -68.55 -53.05 25.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.138 -1.213 . . . . 0.0 110.108 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.911 ' NE2' HG23 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -67.97 -39.69 83.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.755 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.911 HG23 ' NE2' ' A' ' 15' ' ' HIS . 15.9 t -66.15 -46.27 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.122 -0.986 . . . . 0.0 109.182 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.568 ' CA ' HD12 ' A' ' 21' ' ' LEU . . . -59.74 -56.99 21.8 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.59 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -59.67 -44.44 93.59 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.367 -1.667 . . . . 0.0 108.834 179.463 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 15' ' ' HIS . . . -45.11 -62.79 1.11 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 110.479 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 -11.51 29.41 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.973 -1.079 . . . . 0.0 112.291 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.568 HD12 ' CA ' ' A' ' 17' ' ' GLY . 13.3 mt -110.38 -39.74 4.86 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.585 -1.322 . . . . 0.0 111.339 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.59 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 1.8 m -66.89 -34.11 77.06 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.619 -1.301 . . . . 0.0 110.217 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.574 ' C ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 172.63 29.28 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.753 -1.217 . . . . 0.0 110.821 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.574 ' CG ' ' C ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER 57.76 18.57 4.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.917 -1.114 . . . . 0.0 108.829 179.027 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.38 24.06 2.35 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.143 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . 0.448 ' N ' ' HA ' ' A' ' 19' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -110.21 -25.75 10.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.297 -1.119 . . . . 0.0 110.232 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' SER . . . -53.3 -41.15 61.82 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.514 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -43.05 -90.26 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -1.146 . . . . 0.0 110.238 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.879 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 19.7 m-85 -38.32 -44.38 0.89 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.739 -0.601 . . . . 0.0 109.717 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.832 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 5.0 m-85 -48.19 -46.22 34.68 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 120.21 -1.556 . . . . 0.0 108.589 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 4' ' ' SER . 6.1 ttpt -86.48 -62.88 1.41 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.803 -1.186 . . . . 0.0 110.352 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.552 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.5 ptpt -51.86 -42.61 62.76 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.104 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.879 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -72.44 -40.92 66.7 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.327 -1.349 . . . . 0.0 109.283 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.832 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -51.78 -58.86 5.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.655 -1.278 . . . . 0.0 109.843 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.656 ' CE1' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -70.63 -28.05 64.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.011 -1.056 . . . . 0.0 110.311 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.656 HG23 ' CE1' ' A' ' 11' ' ' HIS . 3.3 t -68.73 -56.39 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.588 -1.32 . . . . 0.0 108.804 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.71 -34.46 89.71 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 8.6 tttt -67.3 -37.23 83.03 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.33 -1.1 . . . . 0.0 109.781 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.553 ' CD2' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -71.99 -46.5 57.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.976 -1.077 . . . . 0.0 109.314 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.687 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 99.4 t -62.55 -52.62 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.842 . . . . 0.0 109.595 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -60.85 -43.1 99.68 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.584 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 1.3 ttpm? -72.49 -72.16 0.25 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.668 -1.489 . . . . 0.0 109.647 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.612 ' O ' ' CA ' ' A' ' 24' ' ' TYR . . . -40.02 -37.37 0.58 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.462 -0.774 . . . . 0.0 109.84 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -89.98 -47.55 7.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.276 -0.89 . . . . 0.0 111.434 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 11.6 mt -91.95 -41.84 10.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.788 -1.195 . . . . 0.0 110.673 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.584 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 8.9 m -51.73 -37.42 51.01 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.626 -1.296 . . . . 0.0 109.446 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.582 ' C ' ' CG ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER 176.39 23.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.743 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.612 ' CA ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER 57.05 19.08 4.42 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.626 -1.297 . . . . 0.0 108.621 179.084 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB3' ' O ' ' A' ' 24' ' ' TYR . 1.5 tp 65.67 125.97 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.232 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.907 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER 65.62 12.09 7.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.61 -1.523 . . . . 0.0 110.232 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.47 -42.59 43.45 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -45.45 -86.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -1.159 . . . . 0.0 110.132 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.813 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 46.5 m-85 -35.46 -46.26 0.38 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.589 -0.695 . . . . 0.0 110.478 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.01 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.942 -1.099 . . . . 0.0 109.531 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -79.6 -41.94 26.0 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.175 -0.953 . . . . 0.0 109.784 179.319 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -53.96 -48.36 70.37 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.302 -0.874 . . . . 0.0 109.35 179.19 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.48 -45.09 32.6 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.118 -0.989 . . . . 0.0 109.573 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.39 -46.01 91.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.176 -0.952 . . . . 0.0 109.184 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.401 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 55.8 t-80 -69.55 -35.86 75.82 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.463 -0.773 . . . . 0.0 109.629 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.786 ' O ' HG13 ' A' ' 16' ' ' VAL . 14.8 t -73.95 -51.99 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.171 -0.956 . . . . 0.0 109.644 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.26 -34.22 89.35 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 2.5 tpmt? -72.55 -48.16 42.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -1.138 . . . . 0.0 110.022 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -62.63 -44.23 96.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.295 -0.878 . . . . 0.0 110.099 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.786 HG13 ' O ' ' A' ' 12' ' ' VAL . 9.7 m -71.36 -42.54 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 110.09 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.594 ' N ' HG23 ' A' ' 16' ' ' VAL . . . -63.39 -38.58 96.62 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 15.7 tttt -75.12 -53.9 8.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -1.146 . . . . 0.0 110.219 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 23' ' ' HIS . . . -64.0 -22.69 67.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.926 . . . . 0.0 110.223 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -99.59 -40.81 7.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.0 110.184 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -99.13 -48.97 4.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.218 -0.926 . . . . 0.0 110.222 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.539 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 85.1 m -75.54 -3.86 36.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.199 -0.938 . . . . 0.0 110.22 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.524 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 1.3 m170 -127.53 -62.12 1.1 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.263 -0.898 . . . . 0.0 110.26 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.497 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -61.12 -21.87 64.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.221 -0.925 . . . . 0.0 110.144 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -128.72 26.51 5.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.191 -0.943 . . . . 0.0 110.249 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 3' ' ' GLY . 11.1 m0 -101.83 -62.71 1.22 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.194 -1.18 . . . . 0.0 110.236 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 6' ' ' PHE . . . -44.47 -39.44 5.74 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -47.38 -86.15 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.249 -1.148 . . . . 0.0 110.113 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.806 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 4.6 m-85 -35.19 -47.57 0.4 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.642 -0.661 . . . . 0.0 110.596 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 2.4 m-85 -43.4 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.949 -1.094 . . . . 0.0 109.509 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 12.3 mptt -79.18 -44.14 22.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.198 -0.939 . . . . 0.0 109.651 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -51.99 -48.86 64.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.252 -0.905 . . . . 0.0 109.415 179.159 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -75.86 -44.3 41.42 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.509 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -59.96 -48.38 81.94 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.074 -1.016 . . . . 0.0 109.268 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 18.7 m-70 -67.85 -36.3 80.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.401 -0.812 . . . . 0.0 109.609 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 16' ' ' VAL . 9.0 t -70.93 -58.64 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 109.662 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.468 ' HA2' ' CG2' ' A' ' 16' ' ' VAL . . . -58.55 -36.21 84.03 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 16.7 tttt -65.58 -52.13 54.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.331 -1.1 . . . . 0.0 109.921 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.527 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.8 t-160 -62.19 -58.5 7.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 0.0 109.915 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 12' ' ' VAL . 5.7 m -53.57 -42.6 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 110.093 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.589 ' N ' HG23 ' A' ' 16' ' ' VAL . . . -69.08 -71.07 1.03 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.537 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 1.2 tttt -47.69 -23.28 0.66 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.081 -1.246 . . . . 0.0 110.176 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.55 ' HA ' ' HB3' ' A' ' 23' ' ' HIS . . . -86.36 -63.9 1.24 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.147 -0.971 . . . . 0.0 110.746 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' C ' ' HB2' ' A' ' 24' ' ' TYR . . . -87.49 5.67 37.9 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.841 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 2.0 tt -120.11 -54.34 2.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.121 -0.987 . . . . 0.0 110.052 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.537 ' CG2' ' HA ' ' A' ' 18' ' ' LYS . 7.7 p -96.27 -17.15 20.94 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.193 -0.942 . . . . 0.0 110.308 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.55 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -113.55 -9.89 13.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.131 -0.981 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 19' ' ' ALA . 14.3 t80 -42.83 -52.78 4.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.277 -0.89 . . . . 0.0 110.169 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.97 -7.44 52.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -132.65 23.81 4.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.214 -1.168 . . . . 0.0 110.214 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.6 -48.18 86.1 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -47.29 -76.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -1.168 . . . . 0.0 110.164 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.907 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 16.4 m-85 -38.04 -45.93 0.95 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.703 -0.623 . . . . 0.0 109.992 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.807 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.8 m-85 -51.5 -47.22 63.32 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 119.866 -1.771 . . . . 0.0 108.528 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 4' ' ' SER . 26.5 mtmm -85.95 -63.61 1.29 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.785 -1.197 . . . . 0.0 110.492 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.607 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -50.93 -41.42 58.82 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.447 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -74.61 -41.67 60.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.392 -1.442 . . . . 0.0 109.355 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.807 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -51.7 -59.52 4.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.773 -1.204 . . . . 0.0 109.754 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.607 ' CD2' ' HA ' ' A' ' 8' ' ' LYS . 1.2 p80 -69.94 -27.65 64.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.033 -1.042 . . . . 0.0 110.526 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 8' ' ' LYS . 2.3 t -65.23 -62.26 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.556 -1.34 . . . . 0.0 108.877 178.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -62.92 -32.24 83.28 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HB2' ' HA ' ' A' ' 11' ' ' HIS . 2.7 mmtp -62.0 -58.07 9.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -1.164 . . . . 0.0 110.192 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.772 ' NE2' HG23 ' A' ' 16' ' ' VAL . 2.2 p-80 -66.54 -35.71 80.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.082 -1.011 . . . . 0.0 110.031 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.772 HG23 ' NE2' ' A' ' 15' ' ' HIS . 6.4 t -62.25 -63.52 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.13 -0.981 . . . . 0.0 109.611 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -58.97 -37.62 91.63 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.608 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 7.0 ttpt -74.14 -72.5 0.27 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.662 -1.493 . . . . 0.0 109.739 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.607 ' O ' ' CA ' ' A' ' 24' ' ' TYR . . . -40.21 -35.93 0.46 Allowed 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.481 -0.762 . . . . 0.0 109.516 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.542 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -89.31 -54.45 4.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.483 -0.761 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 17' ' ' GLY . 5.2 tt -86.02 -39.93 16.33 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.844 -1.16 . . . . 0.0 111.26 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.709 HG22 ' CD2' ' A' ' 23' ' ' HIS . 17.7 m -53.33 -38.05 62.87 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.315 -1.491 . . . . 0.0 109.473 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.709 ' CD2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER 176.42 23.43 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 118.879 -1.128 . . . . 0.0 112.024 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.607 ' CA ' ' O ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER 55.46 19.53 3.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.628 -1.295 . . . . 0.0 109.119 178.684 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -95.48 62.6 2.42 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.221 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.919 -1.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -125.74 36.9 4.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.212 -1.17 . . . . 0.0 110.213 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 2' ' ' TRP . . . -43.94 -41.14 5.85 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 8' ' ' LYS . 2.9 m -45.74 -85.28 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.231 -1.158 . . . . 0.0 110.112 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.806 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.9 m-85 -35.57 -47.79 0.48 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.671 -0.643 . . . . 0.0 110.494 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -43.22 -74.93 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.937 -1.102 . . . . 0.0 109.585 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 8.2 mttt -79.1 -44.66 21.63 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.174 -0.953 . . . . 0.0 109.649 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.547 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.7 tttt -51.83 -48.57 63.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.259 -0.901 . . . . 0.0 109.458 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.19 -44.26 38.74 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.538 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' LYS . . . -59.86 -47.09 87.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.181 -0.95 . . . . 0.0 109.268 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 31.7 m170 -69.47 -35.62 75.79 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.392 -0.817 . . . . 0.0 109.614 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 8' ' ' LYS . 14.8 t -73.67 -48.54 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.217 -0.927 . . . . 0.0 109.737 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.27 -34.35 87.78 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.1 mmtm -72.33 -53.32 12.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.369 -1.077 . . . . 0.0 110.05 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -60.89 -46.21 91.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.212 -0.93 . . . . 0.0 109.987 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 42.3 t -67.46 -45.35 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.85 . . . . 0.0 110.121 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -59.55 -51.69 57.57 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 8.6 tttt -66.85 -34.0 76.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -1.22 . . . . 0.0 110.081 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' A' ' 23' ' ' HIS . . . -78.57 -35.29 46.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.179 -0.951 . . . . 0.0 110.363 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 24' ' ' TYR . . . -96.08 -17.17 21.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.24 -0.913 . . . . 0.0 110.454 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -116.57 -51.48 2.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 0.0 110.247 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.544 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 31.0 m -81.72 -6.52 59.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 110.505 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.523 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 3.0 t60 -123.77 -41.17 2.26 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.069 -1.02 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.525 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 21.0 t80 -42.87 -61.22 1.33 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.252 -0.905 . . . . 0.0 110.226 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 4.3 mm? 49.23 -91.05 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.0 110.218 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . 0.492 ' N ' ' O ' ' A' ' 24' ' ' TYR . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -104.29 -17.57 14.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.288 -1.124 . . . . 0.0 110.251 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 6' ' ' PHE . . . -57.77 -39.25 91.08 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 8' ' ' LYS . 1.3 t -50.42 -86.7 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.261 -1.14 . . . . 0.0 110.213 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.804 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 70.0 m-85 -35.18 -47.65 0.4 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.664 -0.648 . . . . 0.0 110.54 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 80.3 t80 -43.43 -74.48 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.943 -1.098 . . . . 0.0 109.629 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -79.69 -43.33 22.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.109 -0.994 . . . . 0.0 109.696 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.4 ttmm -53.3 -48.19 68.58 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.249 -0.907 . . . . 0.0 109.431 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.52 -45.18 31.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.102 -0.999 . . . . 0.0 109.554 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.19 -45.49 92.96 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.14 -0.975 . . . . 0.0 109.211 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.667 ' CE1' ' CE1' ' A' ' 15' ' ' HIS . 17.7 t-80 -70.28 -35.74 73.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.465 -0.772 . . . . 0.0 109.604 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 8' ' ' LYS . 15.0 t -74.17 -49.39 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.321 -0.862 . . . . 0.0 109.791 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.07 -33.28 83.02 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 66.2 tttt -73.38 -50.35 22.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.347 -1.09 . . . . 0.0 110.084 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.667 ' CE1' ' CE1' ' A' ' 11' ' ' HIS . 6.2 m170 -63.91 -44.96 91.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 0.0 109.996 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 97.3 t -70.85 -47.8 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.208 -0.932 . . . . 0.0 110.116 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 21' ' ' LEU . . . -60.14 -39.09 95.39 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 34.3 ttpt -72.03 -50.32 29.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.2 -1.176 . . . . 0.0 110.213 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.552 ' HA ' ' CB ' ' A' ' 23' ' ' HIS . . . -70.47 -15.61 62.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 0.0 110.235 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -102.29 -45.93 4.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 110.219 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.2 mt -97.54 -45.89 6.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -0.93 . . . . 0.0 110.278 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.488 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 17.8 m -79.8 -5.2 54.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.219 -0.925 . . . . 0.0 110.207 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.552 ' CB ' ' HA ' ' A' ' 19' ' ' ALA . 2.4 t-160 -136.39 -44.56 0.62 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.29 -0.881 . . . . 0.0 110.184 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 62.07 19.73 11.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -0.939 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 mt 53.14 23.04 2.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 110.22 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.476 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -172.83 31.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.32 -1.106 . . . . 0.0 110.171 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 4' ' ' SER . . . -46.27 -42.97 13.54 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 8' ' ' LYS . 4.5 t -43.71 -85.89 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -1.166 . . . . 0.0 110.189 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.79 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.9 m-85 -35.16 -49.25 0.47 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.571 -0.706 . . . . 0.0 110.674 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -42.3 -73.06 0.05 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.999 -1.063 . . . . 0.0 109.525 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 1.1 mptt -79.17 -46.39 18.02 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.198 -0.939 . . . . 0.0 109.723 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -51.19 -48.46 61.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.214 -0.929 . . . . 0.0 109.365 179.344 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -75.58 -43.55 47.74 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.216 -0.994 . . . . 0.0 109.449 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.37 -47.01 87.88 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.142 -0.974 . . . . 0.0 109.34 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 41.9 m80 -70.21 -34.74 73.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.331 -0.856 . . . . 0.0 109.721 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 8' ' ' LYS . 17.9 t -74.75 -49.67 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.266 -0.896 . . . . 0.0 109.807 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.31 -33.06 81.26 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 33.5 ttpt -74.49 -52.07 12.99 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -1.115 . . . . 0.0 110.026 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -63.05 -44.35 96.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.102 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 61.3 t -73.05 -46.1 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 0.0 110.191 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -61.82 -35.11 90.81 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 3.7 ttpt -77.63 -53.57 7.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -1.133 . . . . 0.0 110.139 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 23' ' ' HIS . . . -65.55 -19.72 66.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -0.878 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -102.19 -44.25 5.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.258 -0.902 . . . . 0.0 110.199 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -94.34 -48.08 6.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 0.0 110.188 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 29.6 m -78.07 -5.67 52.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.242 -0.911 . . . . 0.0 110.2 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.452 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -138.52 -47.17 0.51 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.903 . . . . 0.0 110.201 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.44 22.3 10.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.19 -0.944 . . . . 0.0 110.202 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 23' ' ' HIS . 1.0 OUTLIER -96.71 77.7 2.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.252 -0.905 . . . . 0.0 110.206 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.872 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.417 ' O ' ' N ' ' A' ' 4' ' ' SER . 1.9 m95 -102.64 -56.81 2.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.217 -1.166 . . . . 0.0 110.199 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 2' ' ' TRP . . . -43.37 -27.06 0.7 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.532 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 8.3 m -53.14 -90.39 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.199 -1.177 . . . . 0.0 110.177 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 1.026 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -47.93 -16.94 0.09 Allowed 'General case' 0 N--CA 1.483 1.202 0 O-C-N 121.461 -0.774 . . . . 0.0 110.534 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.737 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 5.4 m-85 -65.02 -51.48 61.38 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 119.119 -2.238 . . . . 0.0 108.364 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -89.26 -48.12 7.58 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.56 -1.338 . . . . 0.0 110.451 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.612 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -63.48 -39.78 95.36 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 118.332 -1.347 . . . . 0.0 109.223 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 1.026 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -78.26 -37.54 44.83 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 117.574 -1.65 . . . . 0.0 109.299 178.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -55.35 -56.65 17.67 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.485 -1.384 . . . . 0.0 109.55 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.612 ' CD2' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -71.5 -28.05 63.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.031 -1.043 . . . . 0.0 110.4 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.613 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 2.4 t -65.6 -57.32 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.493 -1.379 . . . . 0.0 108.853 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.27 -32.39 81.96 Favored Glycine 0 N--CA 1.487 2.091 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 11' ' ' HIS . 18.3 mtmt -61.35 -54.85 38.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.294 -1.121 . . . . 0.0 110.151 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.613 ' CE1' ' HA ' ' A' ' 12' ' ' VAL . 3.9 p-80 -70.57 -37.86 74.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.059 -1.026 . . . . 0.0 109.879 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.579 HG23 ' CE1' ' A' ' 15' ' ' HIS . 13.8 t -56.52 -52.35 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.221 -0.924 . . . . 0.0 109.622 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -70.06 -50.83 26.39 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.566 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 4.8 mptt -44.39 -42.69 7.1 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.977 -1.308 . . . . 0.0 108.738 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.682 ' HA ' ' HB3' ' A' ' 23' ' ' HIS . . . -79.92 -72.87 0.38 Allowed 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.714 -1.241 . . . . 0.0 110.245 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 24' ' ' TYR . . . -47.59 -25.43 1.14 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.786 -0.571 . . . . 0.0 110.158 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.67 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 7.1 tt -108.5 -38.21 5.75 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.154 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.566 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -110.55 -3.4 15.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.363 -1.46 . . . . 0.0 111.066 179.713 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.682 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 4.2 p-80 -67.3 -30.61 70.52 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 105.089 -2.189 . . . . 0.0 105.089 177.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.67 ' CE2' ' HA ' ' A' ' 21' ' ' LEU . 2.0 p90 -91.72 2.65 56.34 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 118.426 -1.31 . . . . 0.0 109.875 178.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.523 ' HB3' HG22 ' A' ' 22' ' ' THR . 0.9 OUTLIER -91.2 91.07 8.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.1 -1.0 . . . . 0.0 110.178 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.802 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 79.6 m-85 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.087 0.47 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.456 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -43.75 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.961 -1.087 . . . . 0.0 109.494 179.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.514 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 1.3 mptp? -79.36 -43.05 24.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.242 -0.911 . . . . 0.0 109.722 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.6 tptt -52.87 -48.52 67.04 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.246 -0.909 . . . . 0.0 109.325 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.802 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.32 -45.14 33.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.091 -1.006 . . . . 0.0 109.504 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -59.77 -45.84 91.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.114 -0.992 . . . . 0.0 109.288 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 7' ' ' LYS . 15.2 m-70 -70.27 -35.41 73.73 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.388 -0.82 . . . . 0.0 109.61 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 8' ' ' LYS . 15.6 t -74.58 -49.77 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.201 -0.937 . . . . 0.0 109.717 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.53 -33.65 85.27 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 6.5 ttmm -73.64 -53.69 9.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.301 -1.117 . . . . 0.0 110.021 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -61.69 -39.29 90.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.292 -0.88 . . . . 0.0 110.016 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.441 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 48.5 t -72.74 -48.0 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 110.157 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -58.79 -45.34 95.06 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 12.1 mttt -70.71 -46.01 63.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.209 -1.171 . . . . 0.0 110.196 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.74 -28.77 66.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -0.876 . . . . 0.0 110.211 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -97.08 -29.43 13.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.942 . . . . 0.0 110.585 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 1.5 tt -108.87 -49.63 3.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.003 -1.061 . . . . 0.0 110.333 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.546 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 56.5 m . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.219 -0.926 . . . . 0.0 110.347 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.889 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 11.9 m-85 . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.863 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 3.7 m-85 -48.12 -46.09 33.74 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 120.104 -1.623 . . . . 0.0 108.582 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -86.21 -63.47 1.31 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.88 -1.137 . . . . 0.0 110.375 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -51.53 -42.89 62.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 118.552 -1.259 . . . . 0.0 109.038 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.889 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -72.36 -40.43 67.33 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.39 -1.324 . . . . 0.0 109.408 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.863 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -51.42 -58.0 7.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.7 -1.25 . . . . 0.0 109.842 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.76 ' CE1' HG23 ' A' ' 12' ' ' VAL . 3.0 p80 -72.46 -27.41 62.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.025 -1.047 . . . . 0.0 110.393 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.76 HG23 ' CE1' ' A' ' 11' ' ' HIS . 2.2 t -66.67 -51.38 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.699 -1.25 . . . . 0.0 108.794 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.36 -30.05 65.29 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 10.5 tppt? -67.82 -41.56 82.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -1.121 . . . . 0.0 110.056 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.911 ' NE2' HG23 ' A' ' 16' ' ' VAL . 1.9 p-80 -81.34 -39.94 24.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.935 -1.103 . . . . 0.0 109.583 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.911 HG23 ' NE2' ' A' ' 15' ' ' HIS . 15.9 t -62.95 -40.66 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.171 -0.956 . . . . 0.0 109.084 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -77.56 -53.03 5.23 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 22' ' ' THR . 2.4 mmpt? -46.51 -44.37 17.65 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.852 -1.381 . . . . 0.0 108.558 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.14 -70.61 0.49 Allowed 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.812 -1.18 . . . . 0.0 110.371 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -49.71 -25.87 3.31 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.808 -0.557 . . . . 0.0 110.204 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' A' ' 17' ' ' GLY . 1.8 tt -107.69 -37.5 6.13 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.217 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 O-C-N 120.44 -1.413 . . . . 0.0 111.098 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.882 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 22.2 m-85 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.8 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -47.65 -52.72 17.13 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 120.18 -1.575 . . . . 0.0 108.384 179.455 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 6' ' ' PHE . 17.8 tttp -82.7 -59.46 2.5 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.956 -1.09 . . . . 0.0 110.976 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.622 ' HA ' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -55.88 -41.44 74.44 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 118.511 -1.276 . . . . 0.0 109.641 -179.652 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -73.24 -40.06 64.97 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 118.196 -1.401 . . . . 0.0 109.055 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.8 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -52.61 -59.08 4.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.934 -1.104 . . . . 0.0 109.639 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.622 ' CE1' ' HA ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -70.15 -27.29 64.42 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.474 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.614 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 3.4 t -69.85 -50.33 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.657 -1.277 . . . . 0.0 109.009 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.15 -31.93 72.34 Favored Glycine 0 N--CA 1.487 2.089 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -68.55 -53.05 25.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.138 -1.213 . . . . 0.0 110.108 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.911 ' NE2' HG23 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -67.97 -39.69 83.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.755 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.911 HG23 ' NE2' ' A' ' 15' ' ' HIS . 15.9 t -66.15 -46.27 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.122 -0.986 . . . . 0.0 109.182 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.568 ' CA ' HD12 ' A' ' 21' ' ' LEU . . . -59.74 -56.99 21.8 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.59 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -59.67 -44.44 93.59 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.367 -1.667 . . . . 0.0 108.834 179.463 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 15' ' ' HIS . . . -45.11 -62.79 1.11 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 110.479 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 -11.51 29.41 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.973 -1.079 . . . . 0.0 112.291 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.568 HD12 ' CA ' ' A' ' 17' ' ' GLY . 13.3 mt -110.38 -39.74 4.86 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.585 -1.322 . . . . 0.0 111.339 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.59 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 1.8 m . . . . . 0 N--CA 1.5 2.046 0 O-C-N 120.619 -1.301 . . . . 0.0 110.217 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.879 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 19.7 m-85 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.832 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 5.0 m-85 -48.19 -46.22 34.68 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 120.21 -1.556 . . . . 0.0 108.589 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -86.48 -62.88 1.41 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.803 -1.186 . . . . 0.0 110.352 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.631 ' HA ' ' CE1' ' A' ' 11' ' ' HIS . 3.5 ptpt -51.86 -42.61 62.76 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.104 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.879 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -72.44 -40.92 66.7 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.327 -1.349 . . . . 0.0 109.283 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.832 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -51.78 -58.86 5.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.655 -1.278 . . . . 0.0 109.843 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.631 ' CE1' ' HA ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -70.63 -28.05 64.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.011 -1.056 . . . . 0.0 110.311 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 8' ' ' LYS . 3.3 t -68.73 -56.39 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.588 -1.32 . . . . 0.0 108.804 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.71 -34.46 89.71 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 8.6 tttt -67.3 -37.23 83.03 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.33 -1.1 . . . . 0.0 109.781 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.553 ' CD2' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -71.99 -46.5 57.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.976 -1.077 . . . . 0.0 109.314 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.687 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 99.4 t -62.55 -52.62 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.842 . . . . 0.0 109.595 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -60.85 -43.1 99.68 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.584 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 1.3 ttpm? -72.49 -72.16 0.25 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.668 -1.489 . . . . 0.0 109.647 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 15' ' ' HIS . . . -40.02 -37.37 0.58 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.462 -0.774 . . . . 0.0 109.84 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -89.98 -47.55 7.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.276 -0.89 . . . . 0.0 111.434 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 11.6 mt -91.95 -41.84 10.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.788 -1.195 . . . . 0.0 110.673 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.584 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 8.9 m . . . . . 0 N--CA 1.496 1.849 0 O-C-N 120.626 -1.296 . . . . 0.0 109.446 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.813 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 46.5 m-85 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.137 0.494 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.01 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.942 -1.099 . . . . 0.0 109.531 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -79.6 -41.94 26.0 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.175 -0.953 . . . . 0.0 109.784 179.319 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -53.96 -48.36 70.37 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.302 -0.874 . . . . 0.0 109.35 179.19 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.48 -45.09 32.6 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.118 -0.989 . . . . 0.0 109.573 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.39 -46.01 91.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.176 -0.952 . . . . 0.0 109.184 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.401 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 55.8 t-80 -69.55 -35.86 75.82 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.463 -0.773 . . . . 0.0 109.629 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.786 ' O ' HG13 ' A' ' 16' ' ' VAL . 14.8 t -73.95 -51.99 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.171 -0.956 . . . . 0.0 109.644 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.26 -34.22 89.35 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 2.5 tpmt? -72.55 -48.16 42.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -1.138 . . . . 0.0 110.022 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -62.63 -44.23 96.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.295 -0.878 . . . . 0.0 110.099 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.786 HG13 ' O ' ' A' ' 12' ' ' VAL . 9.7 m -71.36 -42.54 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 110.09 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.594 ' N ' HG23 ' A' ' 16' ' ' VAL . . . -63.39 -38.58 96.62 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 15.7 tttt -75.12 -53.9 8.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -1.146 . . . . 0.0 110.219 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.0 -22.69 67.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.926 . . . . 0.0 110.223 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -99.59 -40.81 7.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.0 110.184 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -99.13 -48.97 4.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.218 -0.926 . . . . 0.0 110.222 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.539 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 85.1 m . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.199 -0.938 . . . . 0.0 110.22 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.806 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 4.6 m-85 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.095 0.474 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 2.4 m-85 -43.4 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.949 -1.094 . . . . 0.0 109.509 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 12.3 mptt -79.18 -44.14 22.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.198 -0.939 . . . . 0.0 109.651 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -51.99 -48.86 64.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.252 -0.905 . . . . 0.0 109.415 179.159 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -75.86 -44.3 41.42 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.509 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -59.96 -48.38 81.94 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.074 -1.016 . . . . 0.0 109.268 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 18.7 m-70 -67.85 -36.3 80.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.401 -0.812 . . . . 0.0 109.609 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 16' ' ' VAL . 9.0 t -70.93 -58.64 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 109.662 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.468 ' HA2' ' CG2' ' A' ' 16' ' ' VAL . . . -58.55 -36.21 84.03 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 16.7 tttt -65.58 -52.13 54.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.331 -1.1 . . . . 0.0 109.921 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.527 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.8 t-160 -62.19 -58.5 7.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 0.0 109.915 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 12' ' ' VAL . 5.7 m -53.57 -42.6 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 110.093 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.589 ' N ' HG23 ' A' ' 16' ' ' VAL . . . -69.08 -71.07 1.03 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.537 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 1.2 tttt -47.69 -23.28 0.66 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.081 -1.246 . . . . 0.0 110.176 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -86.36 -63.9 1.24 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.147 -0.971 . . . . 0.0 110.746 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.49 5.67 37.9 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.841 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 2.0 tt -120.11 -54.34 2.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.121 -0.987 . . . . 0.0 110.052 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.537 ' CG2' ' HA ' ' A' ' 18' ' ' LYS . 7.7 p . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.193 -0.942 . . . . 0.0 110.308 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.907 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 16.4 m-85 . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.807 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.8 m-85 -51.5 -47.22 63.32 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 119.866 -1.771 . . . . 0.0 108.528 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -85.95 -63.61 1.29 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.785 -1.197 . . . . 0.0 110.492 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.607 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -50.93 -41.42 58.82 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.447 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -74.61 -41.67 60.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.392 -1.442 . . . . 0.0 109.355 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.807 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -51.7 -59.52 4.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.773 -1.204 . . . . 0.0 109.754 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.607 ' CD2' ' HA ' ' A' ' 8' ' ' LYS . 1.2 p80 -69.94 -27.65 64.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.033 -1.042 . . . . 0.0 110.526 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.602 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 2.3 t -65.23 -62.26 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.556 -1.34 . . . . 0.0 108.877 178.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -62.92 -32.24 83.28 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HB2' ' HA ' ' A' ' 11' ' ' HIS . 2.7 mmtp -62.0 -58.07 9.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -1.164 . . . . 0.0 110.192 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.972 ' CE1' HG23 ' A' ' 16' ' ' VAL . 2.1 p80 -66.54 -35.71 80.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.082 -1.011 . . . . 0.0 110.031 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.972 HG23 ' CE1' ' A' ' 15' ' ' HIS . 6.4 t -62.25 -63.52 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.13 -0.981 . . . . 0.0 109.611 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -58.97 -37.62 91.63 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.608 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 7.0 ttpt -74.14 -72.5 0.27 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.662 -1.493 . . . . 0.0 109.739 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 15' ' ' HIS . . . -40.21 -35.93 0.46 Allowed 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.481 -0.762 . . . . 0.0 109.516 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -89.31 -54.45 4.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.483 -0.761 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 17' ' ' GLY . 5.2 tt -86.02 -39.93 16.33 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.844 -1.16 . . . . 0.0 111.26 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.608 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 17.7 m . . . . . 0 N--CA 1.496 1.868 0 O-C-N 120.315 -1.491 . . . . 0.0 109.473 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.806 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.9 m-85 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.052 0.453 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -43.22 -74.93 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.937 -1.102 . . . . 0.0 109.585 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 11' ' ' HIS . 8.2 mttt -79.1 -44.66 21.63 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.174 -0.953 . . . . 0.0 109.649 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.547 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.7 tttt -51.83 -48.57 63.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.259 -0.901 . . . . 0.0 109.458 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.19 -44.26 38.74 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.538 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' LYS . . . -59.86 -47.09 87.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.181 -0.95 . . . . 0.0 109.268 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 7' ' ' LYS . 17.8 m-70 -69.47 -35.62 75.79 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.392 -0.817 . . . . 0.0 109.614 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 8' ' ' LYS . 14.8 t -73.67 -48.54 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.217 -0.927 . . . . 0.0 109.737 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.27 -34.35 87.78 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.1 mmtm -72.33 -53.32 12.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.369 -1.077 . . . . 0.0 110.05 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -60.89 -46.21 91.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.212 -0.93 . . . . 0.0 109.987 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 42.3 t -67.46 -45.35 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.85 . . . . 0.0 110.121 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -59.55 -51.69 57.57 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 8.6 tttt -66.85 -34.0 76.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -1.22 . . . . 0.0 110.081 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.57 -35.29 46.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.179 -0.951 . . . . 0.0 110.363 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.08 -17.17 21.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.24 -0.913 . . . . 0.0 110.454 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -116.57 -51.48 2.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 0.0 110.247 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.544 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 31.0 m . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 110.505 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.804 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 70.0 m-85 . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.092 0.472 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 80.3 t80 -43.43 -74.48 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.943 -1.098 . . . . 0.0 109.629 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -79.69 -43.33 22.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.109 -0.994 . . . . 0.0 109.696 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.4 ttmm -53.3 -48.19 68.58 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.249 -0.907 . . . . 0.0 109.431 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.52 -45.18 31.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.102 -0.999 . . . . 0.0 109.554 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.19 -45.49 92.96 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.14 -0.975 . . . . 0.0 109.211 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.667 ' CE1' ' CE1' ' A' ' 15' ' ' HIS . 17.7 t-80 -70.28 -35.74 73.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.465 -0.772 . . . . 0.0 109.604 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 8' ' ' LYS . 15.0 t -74.17 -49.39 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.321 -0.862 . . . . 0.0 109.791 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.07 -33.28 83.02 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 66.2 tttt -73.38 -50.35 22.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.347 -1.09 . . . . 0.0 110.084 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.667 ' CE1' ' CE1' ' A' ' 11' ' ' HIS . 6.2 m170 -63.91 -44.96 91.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 0.0 109.996 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 97.3 t -70.85 -47.8 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.208 -0.932 . . . . 0.0 110.116 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 21' ' ' LEU . . . -60.14 -39.09 95.39 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 34.3 ttpt -72.03 -50.32 29.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.2 -1.176 . . . . 0.0 110.213 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.47 -15.61 62.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 0.0 110.235 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -102.29 -45.93 4.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 110.219 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.2 mt -97.54 -45.89 6.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -0.93 . . . . 0.0 110.278 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.488 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 17.8 m . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.219 -0.925 . . . . 0.0 110.207 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.79 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.9 m-85 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.03 0.443 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -42.3 -73.06 0.05 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.999 -1.063 . . . . 0.0 109.525 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 1.1 mptt -79.17 -46.39 18.02 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.198 -0.939 . . . . 0.0 109.723 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -51.19 -48.46 61.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.214 -0.929 . . . . 0.0 109.365 179.344 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -75.58 -43.55 47.74 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.216 -0.994 . . . . 0.0 109.449 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.37 -47.01 87.88 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.142 -0.974 . . . . 0.0 109.34 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 70.5 m-70 -70.21 -34.74 73.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.331 -0.856 . . . . 0.0 109.721 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 8' ' ' LYS . 17.9 t -74.75 -49.67 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.266 -0.896 . . . . 0.0 109.807 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.31 -33.06 81.26 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 33.5 ttpt -74.49 -52.07 12.99 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -1.115 . . . . 0.0 110.026 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -63.05 -44.35 96.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.102 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 61.3 t -73.05 -46.1 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 0.0 110.191 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -61.82 -35.11 90.81 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 3.7 ttpt -77.63 -53.57 7.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -1.133 . . . . 0.0 110.139 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.55 -19.72 66.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -0.878 . . . . 0.0 110.18 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -102.19 -44.25 5.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.258 -0.902 . . . . 0.0 110.199 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -94.34 -48.08 6.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 0.0 110.188 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 29.6 m . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.242 -0.911 . . . . 0.0 110.2 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 1.026 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 110.534 -0.172 . . . . 0.0 110.534 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.737 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 5.4 m-85 -65.02 -51.48 61.38 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 119.119 -2.238 . . . . 0.0 108.364 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -89.26 -48.12 7.58 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.56 -1.338 . . . . 0.0 110.451 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.612 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -63.48 -39.78 95.36 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 118.332 -1.347 . . . . 0.0 109.223 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 1.026 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -78.26 -37.54 44.83 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 117.574 -1.65 . . . . 0.0 109.299 178.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -55.35 -56.65 17.67 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.485 -1.384 . . . . 0.0 109.55 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.612 ' CD2' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -71.5 -28.05 63.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.031 -1.043 . . . . 0.0 110.4 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.613 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 2.4 t -65.6 -57.32 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.493 -1.379 . . . . 0.0 108.853 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.27 -32.39 81.96 Favored Glycine 0 N--CA 1.487 2.091 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 11' ' ' HIS . 18.3 mtmt -61.35 -54.85 38.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.294 -1.121 . . . . 0.0 110.151 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.613 ' CE1' ' HA ' ' A' ' 12' ' ' VAL . 3.9 p-80 -70.57 -37.86 74.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.059 -1.026 . . . . 0.0 109.879 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.579 HG23 ' CE1' ' A' ' 15' ' ' HIS . 13.8 t -56.52 -52.35 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.221 -0.924 . . . . 0.0 109.622 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -70.06 -50.83 26.39 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.566 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 4.8 mptt -44.39 -42.69 7.1 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.977 -1.308 . . . . 0.0 108.738 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.92 -72.87 0.38 Allowed 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.714 -1.241 . . . . 0.0 110.245 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.59 -25.43 1.14 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.786 -0.571 . . . . 0.0 110.158 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' GLY . 7.1 tt -108.5 -38.21 5.75 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.154 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.566 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 120.363 -1.46 . . . . 0.0 111.066 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -89.56 -38.75 13.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.688 -1.478 . . . . 0.0 110.218 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 6' ' ' PHE . . . -48.91 -37.62 22.33 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -47.78 -86.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.309 -1.112 . . . . 0.0 110.136 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.802 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 79.6 m-85 -34.95 -47.11 0.34 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.729 -0.607 . . . . 0.0 110.567 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.478 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -43.75 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.961 -1.087 . . . . 0.0 109.494 179.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.514 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 1.3 mptp? -79.36 -43.05 24.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.242 -0.911 . . . . 0.0 109.722 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.6 tptt -52.87 -48.52 67.04 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.246 -0.909 . . . . 0.0 109.325 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.802 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.32 -45.14 33.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.091 -1.006 . . . . 0.0 109.504 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -59.77 -45.84 91.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.114 -0.992 . . . . 0.0 109.288 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 7' ' ' LYS . 15.2 m-70 -70.27 -35.41 73.73 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.388 -0.82 . . . . 0.0 109.61 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 8' ' ' LYS . 15.6 t -74.58 -49.77 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.201 -0.937 . . . . 0.0 109.717 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.53 -33.65 85.27 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 6.5 ttmm -73.64 -53.69 9.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.301 -1.117 . . . . 0.0 110.021 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -61.69 -39.29 90.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.292 -0.88 . . . . 0.0 110.016 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.441 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 48.5 t -72.74 -48.0 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 110.157 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -58.79 -45.34 95.06 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 12.1 mttt -70.71 -46.01 63.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.209 -1.171 . . . . 0.0 110.196 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' HA ' ' HB2' ' A' ' 23' ' ' HIS . . . -69.74 -28.77 66.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -0.876 . . . . 0.0 110.211 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 24' ' ' TYR . . . -97.08 -29.43 13.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.942 . . . . 0.0 110.585 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 1.5 tt -108.87 -49.63 3.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.003 -1.061 . . . . 0.0 110.333 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.546 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 56.5 m -77.62 -4.22 44.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.219 -0.926 . . . . 0.0 110.347 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -125.95 -59.47 1.34 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 110.359 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 3.4 t80 -43.41 -30.54 0.55 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.129 -0.982 . . . . 0.0 110.172 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.02 -166.7 1.2 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.245 -0.91 . . . . 0.0 110.208 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.575 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 11.9 p-90 -151.65 -48.62 0.11 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.229 -1.16 . . . . 0.0 110.173 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 6' ' ' PHE . . . -57.77 -46.96 91.7 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.512 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 1.4 m -47.42 -79.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.259 -1.142 . . . . 0.0 110.177 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.889 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 11.9 m-85 -38.05 -45.36 0.9 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.696 -0.628 . . . . 0.0 109.682 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.863 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 3.7 m-85 -48.12 -46.09 33.74 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 120.104 -1.623 . . . . 0.0 108.582 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 4' ' ' SER . 7.9 ttpt -86.21 -63.47 1.31 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.88 -1.137 . . . . 0.0 110.375 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -51.53 -42.89 62.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 118.552 -1.259 . . . . 0.0 109.038 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.889 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -72.36 -40.43 67.33 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.39 -1.324 . . . . 0.0 109.408 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.863 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -51.42 -58.0 7.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.7 -1.25 . . . . 0.0 109.842 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.76 ' CE1' HG23 ' A' ' 12' ' ' VAL . 3.0 p80 -72.46 -27.41 62.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.025 -1.047 . . . . 0.0 110.393 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.76 HG23 ' CE1' ' A' ' 11' ' ' HIS . 2.2 t -66.67 -51.38 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.699 -1.25 . . . . 0.0 108.794 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.36 -30.05 65.29 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 10.5 tppt? -67.82 -41.56 82.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -1.121 . . . . 0.0 110.056 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.911 ' NE2' HG23 ' A' ' 16' ' ' VAL . 1.9 p-80 -81.34 -39.94 24.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.935 -1.103 . . . . 0.0 109.583 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.911 HG23 ' NE2' ' A' ' 15' ' ' HIS . 15.9 t -62.95 -40.66 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.171 -0.956 . . . . 0.0 109.084 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -77.56 -53.03 5.23 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 22' ' ' THR . 2.4 mmpt? -46.51 -44.37 17.65 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.852 -1.381 . . . . 0.0 108.558 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.666 ' HA ' ' HB3' ' A' ' 23' ' ' HIS . . . -79.14 -70.61 0.49 Allowed 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.812 -1.18 . . . . 0.0 110.371 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -49.71 -25.87 3.31 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.808 -0.557 . . . . 0.0 110.204 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.681 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.8 tt -107.69 -37.5 6.13 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.217 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -110.81 -3.89 15.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.44 -1.413 . . . . 0.0 111.098 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.666 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -67.34 -30.22 69.98 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 177.341 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.681 ' CE2' ' HA ' ' A' ' 21' ' ' LEU . 2.0 p90 -92.1 2.35 56.64 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 118.569 -1.252 . . . . 0.0 109.896 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt 54.09 76.08 0.25 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.983 -1.073 . . . . 0.0 110.243 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . 0.446 ' N ' ' CE1' ' A' ' 24' ' ' TYR . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.555 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 68.5 t-105 56.93 17.46 3.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -1.133 . . . . 0.0 110.236 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' PHE . . . -57.28 -48.31 81.24 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.506 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -40.54 -81.3 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.275 -1.132 . . . . 0.0 110.161 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.882 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 22.2 m-85 -38.86 -42.16 0.81 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.687 -0.633 . . . . 0.0 110.039 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.8 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -47.65 -52.72 17.13 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 120.18 -1.575 . . . . 0.0 108.384 179.455 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 6' ' ' PHE . 17.8 tttp -82.7 -59.46 2.5 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.956 -1.09 . . . . 0.0 110.976 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.622 ' HA ' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -55.88 -41.44 74.44 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 118.511 -1.276 . . . . 0.0 109.641 -179.652 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -73.24 -40.06 64.97 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 118.196 -1.401 . . . . 0.0 109.055 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.8 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -52.61 -59.08 4.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.934 -1.104 . . . . 0.0 109.639 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.622 ' CE1' ' HA ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -70.15 -27.29 64.42 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.474 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.614 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 3.4 t -69.85 -50.33 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.657 -1.277 . . . . 0.0 109.009 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.15 -31.93 72.34 Favored Glycine 0 N--CA 1.487 2.089 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -68.55 -53.05 25.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.138 -1.213 . . . . 0.0 110.108 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.911 ' NE2' HG23 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -67.97 -39.69 83.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.755 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.911 HG23 ' NE2' ' A' ' 15' ' ' HIS . 15.9 t -66.15 -46.27 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.122 -0.986 . . . . 0.0 109.182 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.568 ' CA ' HD12 ' A' ' 21' ' ' LEU . . . -59.74 -56.99 21.8 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.59 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -59.67 -44.44 93.59 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.367 -1.667 . . . . 0.0 108.834 179.463 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 15' ' ' HIS . . . -45.11 -62.79 1.11 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 110.479 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 -11.51 29.41 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.973 -1.079 . . . . 0.0 112.291 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.568 HD12 ' CA ' ' A' ' 17' ' ' GLY . 13.3 mt -110.38 -39.74 4.86 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.585 -1.322 . . . . 0.0 111.339 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.59 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 1.8 m -66.89 -34.11 77.06 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.619 -1.301 . . . . 0.0 110.217 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.574 ' C ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 172.63 29.28 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.753 -1.217 . . . . 0.0 110.821 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.574 ' CG ' ' C ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER 57.76 18.57 4.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.917 -1.114 . . . . 0.0 108.829 179.027 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.38 24.06 2.35 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.143 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . 0.448 ' N ' ' HA ' ' A' ' 19' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -110.21 -25.75 10.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.297 -1.119 . . . . 0.0 110.232 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' SER . . . -53.3 -41.15 61.82 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.514 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -43.05 -90.26 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -1.146 . . . . 0.0 110.238 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.879 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 19.7 m-85 -38.32 -44.38 0.89 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.739 -0.601 . . . . 0.0 109.717 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.832 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 5.0 m-85 -48.19 -46.22 34.68 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 120.21 -1.556 . . . . 0.0 108.589 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 4' ' ' SER . 6.1 ttpt -86.48 -62.88 1.41 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.803 -1.186 . . . . 0.0 110.352 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.631 ' HA ' ' CE1' ' A' ' 11' ' ' HIS . 3.5 ptpt -51.86 -42.61 62.76 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.104 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.879 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -72.44 -40.92 66.7 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.327 -1.349 . . . . 0.0 109.283 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.832 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -51.78 -58.86 5.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.655 -1.278 . . . . 0.0 109.843 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.631 ' CE1' ' HA ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -70.63 -28.05 64.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.011 -1.056 . . . . 0.0 110.311 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 8' ' ' LYS . 3.3 t -68.73 -56.39 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.588 -1.32 . . . . 0.0 108.804 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.71 -34.46 89.71 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 8.6 tttt -67.3 -37.23 83.03 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.33 -1.1 . . . . 0.0 109.781 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.553 ' CD2' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -71.99 -46.5 57.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.976 -1.077 . . . . 0.0 109.314 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.687 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 99.4 t -62.55 -52.62 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.842 . . . . 0.0 109.595 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -60.85 -43.1 99.68 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.584 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 1.3 ttpm? -72.49 -72.16 0.25 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.668 -1.489 . . . . 0.0 109.647 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.612 ' O ' ' CA ' ' A' ' 24' ' ' TYR . . . -40.02 -37.37 0.58 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.462 -0.774 . . . . 0.0 109.84 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -89.98 -47.55 7.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.276 -0.89 . . . . 0.0 111.434 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 11.6 mt -91.95 -41.84 10.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.788 -1.195 . . . . 0.0 110.673 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.584 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 8.9 m -51.73 -37.42 51.01 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.626 -1.296 . . . . 0.0 109.446 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.582 ' C ' ' CG ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER 176.39 23.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.743 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.612 ' CA ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER 57.05 19.08 4.42 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.626 -1.297 . . . . 0.0 108.621 179.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB3' ' O ' ' A' ' 24' ' ' TYR . 1.5 tp 65.67 125.97 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.232 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.907 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER 65.62 12.09 7.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.61 -1.523 . . . . 0.0 110.232 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.47 -42.59 43.45 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -45.45 -86.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -1.159 . . . . 0.0 110.132 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.813 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 46.5 m-85 -35.46 -46.26 0.38 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.589 -0.695 . . . . 0.0 110.478 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.01 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.942 -1.099 . . . . 0.0 109.531 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -79.6 -41.94 26.0 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.175 -0.953 . . . . 0.0 109.784 179.319 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -53.96 -48.36 70.37 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.302 -0.874 . . . . 0.0 109.35 179.19 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.48 -45.09 32.6 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.118 -0.989 . . . . 0.0 109.573 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.39 -46.01 91.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.176 -0.952 . . . . 0.0 109.184 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.401 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 55.8 t-80 -69.55 -35.86 75.82 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.463 -0.773 . . . . 0.0 109.629 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.786 ' O ' HG13 ' A' ' 16' ' ' VAL . 14.8 t -73.95 -51.99 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.171 -0.956 . . . . 0.0 109.644 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.26 -34.22 89.35 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 2.5 tpmt? -72.55 -48.16 42.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -1.138 . . . . 0.0 110.022 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -62.63 -44.23 96.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.295 -0.878 . . . . 0.0 110.099 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.786 HG13 ' O ' ' A' ' 12' ' ' VAL . 9.7 m -71.36 -42.54 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 110.09 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.594 ' N ' HG23 ' A' ' 16' ' ' VAL . . . -63.39 -38.58 96.62 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 15.7 tttt -75.12 -53.9 8.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -1.146 . . . . 0.0 110.219 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 23' ' ' HIS . . . -64.0 -22.69 67.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.926 . . . . 0.0 110.223 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -99.59 -40.81 7.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.0 110.184 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -99.13 -48.97 4.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.218 -0.926 . . . . 0.0 110.222 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.539 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 85.1 m -75.54 -3.86 36.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.199 -0.938 . . . . 0.0 110.22 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.524 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 1.3 m170 -127.53 -62.12 1.1 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.263 -0.898 . . . . 0.0 110.26 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.497 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -61.12 -21.87 64.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.221 -0.925 . . . . 0.0 110.144 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -128.72 26.51 5.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.191 -0.943 . . . . 0.0 110.249 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 3' ' ' GLY . 11.1 m0 -101.83 -62.71 1.22 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.194 -1.18 . . . . 0.0 110.236 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 6' ' ' PHE . . . -44.47 -39.44 5.74 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -47.38 -86.15 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.249 -1.148 . . . . 0.0 110.113 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.806 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 4.6 m-85 -35.19 -47.57 0.4 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.642 -0.661 . . . . 0.0 110.596 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 2.4 m-85 -43.4 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.949 -1.094 . . . . 0.0 109.509 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 12.3 mptt -79.18 -44.14 22.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.198 -0.939 . . . . 0.0 109.651 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -51.99 -48.86 64.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.252 -0.905 . . . . 0.0 109.415 179.159 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -75.86 -44.3 41.42 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.509 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -59.96 -48.38 81.94 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.074 -1.016 . . . . 0.0 109.268 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 18.7 m-70 -67.85 -36.3 80.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.401 -0.812 . . . . 0.0 109.609 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 16' ' ' VAL . 9.0 t -70.93 -58.64 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 109.662 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.468 ' HA2' ' CG2' ' A' ' 16' ' ' VAL . . . -58.55 -36.21 84.03 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 16.7 tttt -65.58 -52.13 54.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.331 -1.1 . . . . 0.0 109.921 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.527 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.8 t-160 -62.19 -58.5 7.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 0.0 109.915 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 12' ' ' VAL . 5.7 m -53.57 -42.6 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 110.093 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.589 ' N ' HG23 ' A' ' 16' ' ' VAL . . . -69.08 -71.07 1.03 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.537 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 1.2 tttt -47.69 -23.28 0.66 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.081 -1.246 . . . . 0.0 110.176 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.55 ' HA ' ' HB3' ' A' ' 23' ' ' HIS . . . -86.36 -63.9 1.24 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.147 -0.971 . . . . 0.0 110.746 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' C ' ' HB2' ' A' ' 24' ' ' TYR . . . -87.49 5.67 37.9 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.841 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 2.0 tt -120.11 -54.34 2.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.121 -0.987 . . . . 0.0 110.052 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.537 ' CG2' ' HA ' ' A' ' 18' ' ' LYS . 7.7 p -96.27 -17.15 20.94 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.193 -0.942 . . . . 0.0 110.308 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.55 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 14.9 t-160 -113.55 -9.89 13.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.131 -0.981 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 19' ' ' ALA . 14.3 t80 -42.83 -52.78 4.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.277 -0.89 . . . . 0.0 110.169 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.97 -7.44 52.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -132.65 23.81 4.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.214 -1.168 . . . . 0.0 110.214 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.6 -48.18 86.1 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -47.29 -76.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -1.168 . . . . 0.0 110.164 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.907 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 16.4 m-85 -38.04 -45.93 0.95 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.703 -0.623 . . . . 0.0 109.992 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.807 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.8 m-85 -51.5 -47.22 63.32 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 119.866 -1.771 . . . . 0.0 108.528 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 4' ' ' SER . 26.5 mtmm -85.95 -63.61 1.29 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.785 -1.197 . . . . 0.0 110.492 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.607 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -50.93 -41.42 58.82 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.447 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -74.61 -41.67 60.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.392 -1.442 . . . . 0.0 109.355 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.807 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -51.7 -59.52 4.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.773 -1.204 . . . . 0.0 109.754 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.607 ' CD2' ' HA ' ' A' ' 8' ' ' LYS . 1.2 p80 -69.94 -27.65 64.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.033 -1.042 . . . . 0.0 110.526 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.602 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 2.3 t -65.23 -62.26 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.556 -1.34 . . . . 0.0 108.877 178.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -62.92 -32.24 83.28 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HB2' ' HA ' ' A' ' 11' ' ' HIS . 2.7 mmtp -62.0 -58.07 9.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -1.164 . . . . 0.0 110.192 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.972 ' CE1' HG23 ' A' ' 16' ' ' VAL . 2.1 p80 -66.54 -35.71 80.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.082 -1.011 . . . . 0.0 110.031 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.972 HG23 ' CE1' ' A' ' 15' ' ' HIS . 6.4 t -62.25 -63.52 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.13 -0.981 . . . . 0.0 109.611 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -58.97 -37.62 91.63 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.608 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 7.0 ttpt -74.14 -72.5 0.27 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.662 -1.493 . . . . 0.0 109.739 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.607 ' O ' ' CA ' ' A' ' 24' ' ' TYR . . . -40.21 -35.93 0.46 Allowed 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.481 -0.762 . . . . 0.0 109.516 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.542 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -89.31 -54.45 4.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.483 -0.761 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 17' ' ' GLY . 5.2 tt -86.02 -39.93 16.33 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.844 -1.16 . . . . 0.0 111.26 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.709 HG22 ' CD2' ' A' ' 23' ' ' HIS . 17.7 m -53.33 -38.05 62.87 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.315 -1.491 . . . . 0.0 109.473 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.709 ' CD2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER 176.42 23.43 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 118.879 -1.128 . . . . 0.0 112.024 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.607 ' CA ' ' O ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER 55.46 19.53 3.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.628 -1.295 . . . . 0.0 109.119 178.684 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -95.48 62.6 2.42 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.221 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.919 -1.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -125.74 36.9 4.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.212 -1.17 . . . . 0.0 110.213 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 2' ' ' TRP . . . -43.94 -41.14 5.85 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 8' ' ' LYS . 2.9 m -45.74 -85.28 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.231 -1.158 . . . . 0.0 110.112 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.806 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.9 m-85 -35.57 -47.79 0.48 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.671 -0.643 . . . . 0.0 110.494 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -43.22 -74.93 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.937 -1.102 . . . . 0.0 109.585 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 11' ' ' HIS . 8.2 mttt -79.1 -44.66 21.63 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.174 -0.953 . . . . 0.0 109.649 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.547 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.7 tttt -51.83 -48.57 63.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.259 -0.901 . . . . 0.0 109.458 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.19 -44.26 38.74 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.538 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' LYS . . . -59.86 -47.09 87.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.181 -0.95 . . . . 0.0 109.268 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 7' ' ' LYS . 17.8 m-70 -69.47 -35.62 75.79 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.392 -0.817 . . . . 0.0 109.614 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 8' ' ' LYS . 14.8 t -73.67 -48.54 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.217 -0.927 . . . . 0.0 109.737 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.27 -34.35 87.78 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.1 mmtm -72.33 -53.32 12.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.369 -1.077 . . . . 0.0 110.05 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -60.89 -46.21 91.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.212 -0.93 . . . . 0.0 109.987 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 42.3 t -67.46 -45.35 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.85 . . . . 0.0 110.121 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -59.55 -51.69 57.57 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 8.6 tttt -66.85 -34.0 76.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -1.22 . . . . 0.0 110.081 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' A' ' 23' ' ' HIS . . . -78.57 -35.29 46.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.179 -0.951 . . . . 0.0 110.363 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 24' ' ' TYR . . . -96.08 -17.17 21.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.24 -0.913 . . . . 0.0 110.454 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -116.57 -51.48 2.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 0.0 110.247 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.544 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 31.0 m -81.72 -6.52 59.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 110.505 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.523 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 3.0 t60 -123.77 -41.17 2.26 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.069 -1.02 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.525 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 21.0 t80 -42.87 -61.22 1.33 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.252 -0.905 . . . . 0.0 110.226 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 4.3 mm? 49.23 -91.05 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.0 110.218 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . 0.492 ' N ' ' O ' ' A' ' 24' ' ' TYR . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -104.29 -17.57 14.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.288 -1.124 . . . . 0.0 110.251 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 6' ' ' PHE . . . -57.77 -39.25 91.08 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 8' ' ' LYS . 1.3 t -50.42 -86.7 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.261 -1.14 . . . . 0.0 110.213 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.804 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 70.0 m-85 -35.18 -47.65 0.4 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.664 -0.648 . . . . 0.0 110.54 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 80.3 t80 -43.43 -74.48 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.943 -1.098 . . . . 0.0 109.629 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -79.69 -43.33 22.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.109 -0.994 . . . . 0.0 109.696 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.4 ttmm -53.3 -48.19 68.58 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.249 -0.907 . . . . 0.0 109.431 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -76.52 -45.18 31.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.102 -0.999 . . . . 0.0 109.554 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.19 -45.49 92.96 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.14 -0.975 . . . . 0.0 109.211 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.667 ' CE1' ' CE1' ' A' ' 15' ' ' HIS . 17.7 t-80 -70.28 -35.74 73.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.465 -0.772 . . . . 0.0 109.604 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 8' ' ' LYS . 15.0 t -74.17 -49.39 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.321 -0.862 . . . . 0.0 109.791 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.07 -33.28 83.02 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 66.2 tttt -73.38 -50.35 22.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.347 -1.09 . . . . 0.0 110.084 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.667 ' CE1' ' CE1' ' A' ' 11' ' ' HIS . 6.2 m170 -63.91 -44.96 91.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 0.0 109.996 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 97.3 t -70.85 -47.8 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.208 -0.932 . . . . 0.0 110.116 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 21' ' ' LEU . . . -60.14 -39.09 95.39 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 22' ' ' THR . 34.3 ttpt -72.03 -50.32 29.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.2 -1.176 . . . . 0.0 110.213 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.552 ' HA ' ' CB ' ' A' ' 23' ' ' HIS . . . -70.47 -15.61 62.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 0.0 110.235 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 16' ' ' VAL . . . -102.29 -45.93 4.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 110.219 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.2 mt -97.54 -45.89 6.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -0.93 . . . . 0.0 110.278 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.488 ' CB ' ' HA ' ' A' ' 18' ' ' LYS . 17.8 m -79.8 -5.2 54.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.219 -0.925 . . . . 0.0 110.207 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.552 ' CB ' ' HA ' ' A' ' 19' ' ' ALA . 2.4 t-160 -136.39 -44.56 0.62 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.29 -0.881 . . . . 0.0 110.184 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 62.07 19.73 11.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -0.939 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 mt 53.14 23.04 2.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 110.22 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.476 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -172.83 31.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.32 -1.106 . . . . 0.0 110.171 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 4' ' ' SER . . . -46.27 -42.97 13.54 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 8' ' ' LYS . 4.5 t -43.71 -85.89 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -1.166 . . . . 0.0 110.189 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.79 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.9 m-85 -35.16 -49.25 0.47 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.571 -0.706 . . . . 0.0 110.674 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -42.3 -73.06 0.05 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.999 -1.063 . . . . 0.0 109.525 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 1.1 mptt -79.17 -46.39 18.02 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.198 -0.939 . . . . 0.0 109.723 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -51.19 -48.46 61.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.214 -0.929 . . . . 0.0 109.365 179.344 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -75.58 -43.55 47.74 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.216 -0.994 . . . . 0.0 109.449 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . -60.37 -47.01 87.88 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.142 -0.974 . . . . 0.0 109.34 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 70.5 m-70 -70.21 -34.74 73.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.331 -0.856 . . . . 0.0 109.721 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 8' ' ' LYS . 17.9 t -74.75 -49.67 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.266 -0.896 . . . . 0.0 109.807 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.31 -33.06 81.26 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 33.5 ttpt -74.49 -52.07 12.99 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -1.115 . . . . 0.0 110.026 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -63.05 -44.35 96.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.102 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 61.3 t -73.05 -46.1 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 0.0 110.191 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . -61.82 -35.11 90.81 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 3.7 ttpt -77.63 -53.57 7.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -1.133 . . . . 0.0 110.139 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 23' ' ' HIS . . . -65.55 -19.72 66.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -0.878 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -102.19 -44.25 5.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.258 -0.902 . . . . 0.0 110.199 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -94.34 -48.08 6.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 0.0 110.188 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 29.6 m -78.07 -5.67 52.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.242 -0.911 . . . . 0.0 110.2 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.641 ' CD2' HD13 ' A' ' 25' ' ' LEU . 2.5 t-160 -138.52 -47.17 0.51 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.903 . . . . 0.0 110.201 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.44 22.3 10.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.19 -0.944 . . . . 0.0 110.202 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.641 HD13 ' CD2' ' A' ' 23' ' ' HIS . 1.0 OUTLIER -96.71 77.7 2.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.252 -0.905 . . . . 0.0 110.206 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.872 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.417 ' O ' ' N ' ' A' ' 4' ' ' SER . 1.9 m95 -102.64 -56.81 2.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.217 -1.166 . . . . 0.0 110.199 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 2' ' ' TRP . . . -43.37 -27.06 0.7 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.532 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 8.3 m -53.14 -90.39 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.199 -1.177 . . . . 0.0 110.177 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 1.026 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -47.93 -16.94 0.09 Allowed 'General case' 0 N--CA 1.483 1.202 0 O-C-N 121.461 -0.774 . . . . 0.0 110.534 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.737 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 5.4 m-85 -65.02 -51.48 61.38 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 119.119 -2.238 . . . . 0.0 108.364 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -89.26 -48.12 7.58 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.56 -1.338 . . . . 0.0 110.451 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.612 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -63.48 -39.78 95.36 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 118.332 -1.347 . . . . 0.0 109.223 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 1.026 ' HB3' ' O ' ' A' ' 5' ' ' PHE . . . -78.26 -37.54 44.83 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 117.574 -1.65 . . . . 0.0 109.299 178.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -55.35 -56.65 17.67 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.485 -1.384 . . . . 0.0 109.55 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.612 ' CD2' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -71.5 -28.05 63.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.031 -1.043 . . . . 0.0 110.4 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.613 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 2.4 t -65.6 -57.32 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.493 -1.379 . . . . 0.0 108.853 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.27 -32.39 81.96 Favored Glycine 0 N--CA 1.487 2.091 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 11' ' ' HIS . 18.3 mtmt -61.35 -54.85 38.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.294 -1.121 . . . . 0.0 110.151 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.613 ' CE1' ' HA ' ' A' ' 12' ' ' VAL . 3.9 p-80 -70.57 -37.86 74.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.059 -1.026 . . . . 0.0 109.879 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.579 HG23 ' CE1' ' A' ' 15' ' ' HIS . 13.8 t -56.52 -52.35 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.221 -0.924 . . . . 0.0 109.622 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -70.06 -50.83 26.39 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.566 ' HA ' ' OG1' ' A' ' 22' ' ' THR . 4.8 mptt -44.39 -42.69 7.1 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.977 -1.308 . . . . 0.0 108.738 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.682 ' HA ' ' HB3' ' A' ' 23' ' ' HIS . . . -79.92 -72.87 0.38 Allowed 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.714 -1.241 . . . . 0.0 110.245 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 24' ' ' TYR . . . -47.59 -25.43 1.14 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.786 -0.571 . . . . 0.0 110.158 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.67 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 7.1 tt -108.5 -38.21 5.75 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.154 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.566 ' OG1' ' HA ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -110.55 -3.4 15.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.363 -1.46 . . . . 0.0 111.066 179.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.682 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 4.2 p-80 -67.3 -30.61 70.52 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 105.089 -2.189 . . . . 0.0 105.089 177.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.67 ' CE2' ' HA ' ' A' ' 21' ' ' LEU . 2.0 p90 -91.72 2.65 56.34 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 118.426 -1.31 . . . . 0.0 109.875 178.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.523 ' HB3' HG22 ' A' ' 22' ' ' THR . 0.9 OUTLIER -91.2 91.07 8.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.1 -1.0 . . . . 0.0 110.178 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_