data_1t52_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 1t52 _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 ' 2' ' ' LEU . . . . . 0.578 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.1 mp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.321 0.581 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 7' ' ' LYS . . . -81.76 -30.84 34.44 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -32.35 68.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -1.134 . . . . 0.0 110.002 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.448 HD11 HG22 ' A' ' 5' ' ' ILE . 28.2 mm -77.68 -56.79 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.578 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.7 m0 -60.77 -31.07 70.43 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.392 -0.817 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 2.2 ttpm? -89.33 -28.56 19.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.344 -0.847 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.85 -28.17 55.15 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mt -85.14 -40.89 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.275 -1.132 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -70.95 -23.48 62.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.306 -0.871 . . . . 0.0 110.089 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 3.1 m -82.63 -24.88 33.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.226 -0.921 . . . . 0.0 109.968 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.41 -21.38 30.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.287 -0.883 . . . . 0.0 110.106 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.897 . . . . 0.0 110.198 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.571 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.5 mp . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.295 0.569 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.28 -18.98 59.64 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.78 -34.39 74.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.195 -1.179 . . . . 0.0 110.071 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.9 mm -79.07 -54.37 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 0.0 110.054 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.571 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.6 m0 -58.74 -31.55 68.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.433 -0.792 . . . . 0.0 110.21 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -30.21 68.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.362 -0.836 . . . . 0.0 110.098 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.56 -17.19 78.08 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.27 -66.03 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -1.14 . . . . 0.0 110.133 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -13.42 34.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.383 -0.823 . . . . 0.0 110.262 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 t -83.77 -26.65 29.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.244 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -84.82 -24.08 28.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 110.238 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.339 -0.851 . . . . 0.0 110.252 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.58 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.6 mt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.284 0.564 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.0 -24.1 77.45 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -60.9 -37.61 82.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -1.133 . . . . 0.0 110.006 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.97 -56.52 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.845 . . . . 0.0 109.699 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.58 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.0 m0 -60.37 -22.06 62.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.513 -0.742 . . . . 0.0 110.046 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -70.46 -26.98 63.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.272 -0.892 . . . . 0.0 109.996 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.71 -31.06 63.02 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 mt -83.61 -26.94 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.363 -1.081 . . . . 0.0 110.103 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -77.64 -33.78 53.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.0 110.171 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m -77.34 -31.55 54.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.844 . . . . 0.0 110.035 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.07 -28.04 25.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.0 110.161 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.29 -0.881 . . . . 0.0 110.23 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.19 0.519 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.27 -39.02 0.07 OUTLIER Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -76.35 -26.71 55.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -1.166 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.405 HG22 HD11 ' A' ' 5' ' ' ILE . 31.3 mm -70.44 -51.28 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 110.043 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -67.13 -26.79 66.86 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.471 -0.768 . . . . 0.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.441 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 4.7 tttt -65.35 -28.01 68.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.223 -0.923 . . . . 0.0 110.386 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.73 -29.3 74.8 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 mm -75.27 -39.64 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.184 -1.186 . . . . 0.0 110.139 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -80.91 -27.31 36.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.374 -0.829 . . . . 0.0 110.202 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.4 t -63.85 -38.7 92.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -0.904 . . . . 0.0 110.195 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -13.96 48.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.38 -0.825 . . . . 0.0 110.115 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.247 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 17.9 mt . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.322 0.582 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.85 -35.03 80.72 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -60.63 -29.2 69.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -1.175 . . . . 0.0 110.068 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.1 mm -79.49 -55.35 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.342 -0.849 . . . . 0.0 110.016 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 32.6 m95 -61.3 -35.89 78.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.486 -0.759 . . . . 0.0 110.22 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HG2' ' HE3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -84.49 -19.34 33.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.312 -0.867 . . . . 0.0 110.181 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.98 -28.34 34.76 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.0 mt -79.51 -36.92 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -1.179 . . . . 0.0 110.301 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 11' ' ' SER . 11.8 pttp -84.26 -23.46 30.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 110.324 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.467 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 28.8 t -72.09 -37.42 69.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.201 -0.937 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.23 -38.73 18.59 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.381 -0.825 . . . . 0.0 110.095 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.452 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 7.7 t80 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.171 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 31.8 mt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.229 0.537 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -138.11 -37.77 0.14 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -78.54 -27.02 45.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.267 -1.137 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 mm -70.8 -51.31 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.0 110.219 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -64.09 -35.09 79.6 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.356 -0.84 . . . . 0.0 110.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -64.85 -17.45 64.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.438 -0.789 . . . . 0.0 110.148 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.66 -49.57 36.03 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mt -70.35 -23.7 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -1.104 . . . . 0.0 110.042 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -72.73 -28.9 62.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 0.0 110.128 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -79.34 -23.48 43.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.855 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.94 -26.13 27.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.28 -0.888 . . . . 0.0 110.162 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 0.0 110.129 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 2.8 mt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.191 0.52 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 7' ' ' LYS . . . -57.31 -21.62 41.12 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -85.12 -34.95 22.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -1.13 . . . . 0.0 110.397 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 5' ' ' ILE . 18.9 mm -82.85 -54.99 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.327 -0.858 . . . . 0.0 110.406 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.56 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 29.3 m95 -62.22 -19.23 62.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.384 -0.822 . . . . 0.0 110.421 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -86.25 -24.13 26.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.94 . . . . 0.0 110.203 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.4 -30.61 27.11 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -80.84 -37.51 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.295 -1.121 . . . . 0.0 110.118 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -73.68 -22.53 59.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.177 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -26.78 39.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.296 -0.877 . . . . 0.0 110.194 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.1 -18.38 34.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.197 -0.939 . . . . 0.0 110.17 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.273 -0.892 . . . . 0.0 110.19 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 3.6 mt . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.189 0.518 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.73 -22.4 40.1 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -74.16 -31.74 62.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.199 -1.177 . . . . 0.0 110.119 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.412 ' O ' HG12 ' A' ' 9' ' ' ILE . 19.2 mm -76.73 -50.82 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.338 -0.852 . . . . 0.0 110.025 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 33.3 m95 -60.68 -37.1 80.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.469 -0.769 . . . . 0.0 110.212 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -70.8 -28.34 64.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -0.817 . . . . 0.0 110.11 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.448 ' O ' HD11 ' A' ' 12' ' ' LEU . . . -76.98 -25.82 63.57 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 5' ' ' ILE . 20.7 mm -68.53 -48.74 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -1.101 . . . . 0.0 110.184 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -23.73 65.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.462 -0.773 . . . . 0.0 110.133 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m -80.63 -22.55 40.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 110.176 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 HD11 ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -84.95 -29.78 24.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.213 -0.93 . . . . 0.0 110.137 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.874 . . . . 0.0 110.226 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 82.1 mt . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.305 0.574 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -52.44 -39.53 52.68 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.33 -30.88 67.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.257 -1.143 . . . . 0.0 109.937 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 14.4 mm -74.21 -56.58 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.866 . . . . 0.0 109.948 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 12.2 m0 -60.13 -32.26 70.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.371 -0.831 . . . . 0.0 110.354 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 8.5 tttt -69.58 -25.99 64.25 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.087 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.15 -23.21 78.08 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 23.0 mm -78.09 -36.28 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -1.157 . . . . 0.0 110.211 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.461 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -76.67 -16.66 59.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.346 -0.846 . . . . 0.0 110.082 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.448 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.0 m -78.85 -46.99 17.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.319 -0.863 . . . . 0.0 110.164 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -85.16 -22.93 28.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.479 -0.763 . . . . 0.0 110.146 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 45.8 t80 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.284 -0.885 . . . . 0.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 62.7 mt . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.299 0.571 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.92 -30.51 69.97 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -34.21 76.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.322 -1.105 . . . . 0.0 110.059 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.435 HG21 HD11 ' A' ' 9' ' ' ILE . 43.3 mt -72.49 -55.63 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.367 -0.833 . . . . 0.0 109.798 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 33.6 m95 -59.43 -28.31 66.83 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 110.236 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 9.7 tttt -86.72 -20.89 27.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.306 -0.871 . . . . 0.0 110.15 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.9 -35.09 16.65 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.435 HD11 HG21 ' A' ' 5' ' ' ILE . 4.5 mt -74.89 -29.58 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.331 -1.1 . . . . 0.0 110.174 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 12.1 ptmm? -85.12 -26.33 26.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 110.257 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.11 -37.12 78.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.247 -0.908 . . . . 0.0 110.214 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 3.4 tm? -85.06 -39.96 17.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.296 -0.877 . . . . 0.0 110.25 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.302 -0.874 . . . . 0.0 110.204 179.898 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.576 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 2.0 mp . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.216 0.532 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.47 -27.15 40.26 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -68.19 -36.16 79.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -1.095 . . . . 0.0 110.109 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 5' ' ' ILE . 55.5 mt -69.96 -52.38 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.267 -0.896 . . . . 0.0 109.899 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 11.7 m0 -60.89 -37.62 82.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.417 -0.802 . . . . 0.0 110.143 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 tppp? -79.62 -25.67 41.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.457 -0.777 . . . . 0.0 110.048 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.55 -29.22 53.35 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.1 mm -72.55 -38.47 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -1.129 . . . . 0.0 110.132 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.85 -23.38 63.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.397 -0.815 . . . . 0.0 110.019 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -77.37 -20.6 54.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 110.104 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tp -80.69 -38.01 29.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.883 . . . . 0.0 110.174 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.237 -0.914 . . . . 0.0 110.185 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 1.1 mt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.303 0.573 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.72 -33.06 62.39 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -65.74 -32.07 73.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -1.141 . . . . 0.0 110.074 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.407 HD13 HG23 ' A' ' 5' ' ' ILE . 13.8 mm -74.17 -53.72 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 35.7 m95 -57.47 -26.51 61.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.471 -0.768 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 17.9 ttmm -75.3 -25.53 57.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.102 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.07 72.14 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.434 HG23 HD13 ' A' ' 9' ' ' ILE . 17.1 mm -74.09 -43.18 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.347 -1.09 . . . . 0.0 110.113 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -74.11 -30.49 62.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 0.0 110.088 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -75.83 -21.43 57.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.306 -0.871 . . . . 0.0 109.959 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.528 ' CD1' ' O ' ' A' ' 12' ' ' LEU . 1.9 tm? -80.75 -21.67 40.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.312 -0.868 . . . . 0.0 110.049 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.311 -0.868 . . . . 0.0 110.23 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.314 0.578 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.85 -39.79 0.06 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -73.47 -26.53 60.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.277 -1.131 . . . . 0.0 110.192 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.428 HG22 HD13 ' A' ' 5' ' ' ILE . 19.1 mt -68.93 -51.94 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.973 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -58.61 -24.19 60.49 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 110.195 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 11' ' ' SER . 0.1 OUTLIER -67.73 -41.2 83.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 0.0 110.255 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.72 -26.64 40.35 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 mm -75.98 -52.41 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.205 -1.174 . . . . 0.0 110.33 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -74.72 -21.39 59.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 0.0 110.337 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 3.5 t -74.01 -24.3 59.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.929 . . . . 0.0 110.206 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.72 -33.61 23.08 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.196 -0.94 . . . . 0.0 110.187 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 0.0 110.199 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.424 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.4 mt . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.347 0.594 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.11 -40.62 44.43 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -59.05 -31.21 68.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.219 -1.165 . . . . 0.0 110.051 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 47.9 mt -72.84 -54.3 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.388 -0.82 . . . . 0.0 110.144 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.5 -33.12 70.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.35 -0.844 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 11.1 tmtt? -75.0 -20.72 59.52 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.67 -29.69 38.51 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mt -72.69 -34.36 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -1.152 . . . . 0.0 110.327 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -76.61 -24.18 53.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 110.352 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -76.39 -23.77 54.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.247 -0.908 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.476 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 3.4 tm? -83.9 -26.41 29.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.0 110.137 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.261 0.553 . . . . 0.0 109.969 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.449 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -54.11 -39.2 62.96 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -58.66 -30.62 67.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.244 -1.151 . . . . 0.0 109.866 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 12.8 mt -73.96 -55.54 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.0 109.879 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 14.3 m0 -57.41 -23.76 51.38 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.483 -0.76 . . . . 0.0 110.161 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 13.8 tttt -71.77 -33.59 68.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.887 . . . . 0.0 110.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.06 -26.32 37.52 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.4 mm -79.76 -26.34 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.259 -1.142 . . . . 0.0 110.198 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 17.7 ptmt -84.78 -23.34 29.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.312 -0.867 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -80.01 -26.43 39.85 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.274 -0.891 . . . . 0.0 110.211 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -84.94 -27.62 26.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 110.137 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.271 -0.893 . . . . 0.0 110.222 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.574 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 3.1 mp . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.286 0.565 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.563 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -55.0 -32.82 56.76 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -61.74 -33.14 73.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -1.106 . . . . 0.0 110.026 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 2' ' ' LEU . 47.4 mt -72.95 -51.56 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.0 109.932 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 10.5 m0 -61.07 -39.07 88.48 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.405 -0.81 . . . . 0.0 110.104 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -26.59 64.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.398 -0.814 . . . . 0.0 110.092 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.23 -30.15 59.24 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.7 mt -66.19 -41.08 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -1.104 . . . . 0.0 110.045 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -67.73 -22.9 65.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 0.0 110.004 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -78.71 -23.14 45.7 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.282 -0.886 . . . . 0.0 110.008 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tp -78.6 -26.28 45.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.304 -0.873 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.251 -0.906 . . . . 0.0 110.153 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.118 0.485 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.44 -38.45 0.1 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -65.85 -29.66 70.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.263 -1.139 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 mm -71.09 -52.67 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 110.148 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -61.44 -39.14 89.75 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.408 -0.807 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -64.88 -26.98 68.56 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.394 -0.816 . . . . 0.0 110.108 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.5 -15.51 81.32 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.426 HD12 HG21 ' A' ' 9' ' ' ILE . 17.4 mm -81.99 -30.27 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -1.108 . . . . 0.0 110.216 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.77 -18.88 39.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.283 -0.886 . . . . 0.0 110.145 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.507 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -84.3 -26.07 28.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.064 179.856 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 tp -83.38 -26.08 30.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.882 . . . . 0.0 110.152 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.191 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.326 0.584 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 7' ' ' LYS . . . -55.06 -39.13 68.21 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 4' ' ' LYS . 9.3 mmmt -59.04 -29.35 67.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -1.151 . . . . 0.0 110.008 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.3 mm -77.54 -57.63 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 0.0 110.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.454 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 33.5 m95 -60.28 -36.9 78.89 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.425 -0.797 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 11.7 ttpt -86.63 -22.56 26.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.397 -0.814 . . . . 0.0 110.182 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.92 -27.06 54.51 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.3 mm -81.26 -41.61 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.243 -1.151 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -74.53 -20.06 60.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.404 -0.81 . . . . 0.0 110.092 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.478 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.4 t -81.07 -26.76 36.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.871 . . . . 0.0 110.095 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.3 -24.66 42.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.882 . . . . 0.0 110.123 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.872 . . . . 0.0 110.172 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.569 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 87.4 mt . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.345 0.593 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.467 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -50.87 -36.87 34.38 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -60.31 -33.14 71.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -1.104 . . . . 0.0 110.091 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.8 mt -72.37 -53.37 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.398 -0.814 . . . . 0.0 110.136 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.569 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 13.2 m0 -59.11 -28.81 66.88 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.394 -0.816 . . . . 0.0 110.369 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -82.73 -20.53 35.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.285 -0.884 . . . . 0.0 110.108 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.94 -30.52 25.83 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mm -75.61 -38.63 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.254 -1.145 . . . . 0.0 110.156 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -73.18 -24.09 60.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.888 . . . . 0.0 110.132 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 m -76.8 -20.97 55.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.248 -0.907 . . . . 0.0 110.112 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.2 -24.63 27.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.246 -0.909 . . . . 0.0 110.145 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.237 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.567 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.284 0.564 . . . . 0.0 110.002 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -55.74 -27.5 49.77 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -67.64 -35.25 78.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -1.179 . . . . 0.0 110.135 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.3 mt -74.02 -51.84 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.404 -0.81 . . . . 0.0 110.127 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 34.9 m95 -58.91 -30.86 68.12 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.388 -0.82 . . . . 0.0 110.196 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 11' ' ' SER . 13.9 tttm -67.1 -28.46 68.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 110.14 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.41 -25.26 74.87 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.5 mt -75.07 -62.28 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -1.133 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -8.92 38.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.407 -0.808 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 2.7 m -80.43 -33.3 37.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.195 -0.941 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.02 -22.5 29.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.324 -0.86 . . . . 0.0 110.196 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.199 -0.938 . . . . 0.0 110.289 179.901 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 7.1 mt . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.173 0.511 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.578 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.1 mp -65.15 -44.42 88.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.199 -0.938 . . . . 0.0 110.139 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 7' ' ' LYS . . . -81.76 -30.84 34.44 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -32.35 68.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -1.134 . . . . 0.0 110.002 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.448 HD11 HG22 ' A' ' 5' ' ' ILE . 28.2 mm -77.68 -56.79 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.578 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.7 m0 -60.77 -31.07 70.43 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.392 -0.817 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 2.2 ttpm? -89.33 -28.56 19.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.344 -0.847 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.85 -28.17 55.15 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mt -85.14 -40.89 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.275 -1.132 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -70.95 -23.48 62.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.306 -0.871 . . . . 0.0 110.089 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 3.1 m -82.63 -24.88 33.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.226 -0.921 . . . . 0.0 109.968 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.41 -21.38 30.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.287 -0.883 . . . . 0.0 110.106 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.0 -31.08 0.48 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.897 . . . . 0.0 110.198 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 2.4 mp . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.252 0.549 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.571 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.5 mp -60.56 -36.94 79.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 109.927 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.28 -18.98 59.64 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -60.78 -34.39 74.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.195 -1.179 . . . . 0.0 110.071 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.9 mm -79.07 -54.37 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 0.0 110.054 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.571 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.6 m0 -58.74 -31.55 68.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.433 -0.792 . . . . 0.0 110.21 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -30.21 68.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.362 -0.836 . . . . 0.0 110.098 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.56 -17.19 78.08 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.27 -66.03 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -1.14 . . . . 0.0 110.133 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -13.42 34.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.383 -0.823 . . . . 0.0 110.262 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 t -83.77 -26.65 29.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.244 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -84.82 -24.08 28.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 110.238 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -75.44 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.339 -0.851 . . . . 0.0 110.252 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.88 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.51 HG21 HD12 ' A' ' 1' ' ' ILE . 24.0 mt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.237 0.542 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.58 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.6 mt -64.51 -43.58 93.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 110.068 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.0 -24.1 77.45 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 12.8 mmtm -60.9 -37.61 82.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -1.133 . . . . 0.0 110.006 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 1' ' ' ILE . 3.8 mt -71.97 -56.52 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.845 . . . . 0.0 109.699 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.58 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.0 m0 -60.37 -22.06 62.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.513 -0.742 . . . . 0.0 110.046 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -70.46 -26.98 63.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.272 -0.892 . . . . 0.0 109.996 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.71 -31.06 63.02 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 mt -83.61 -26.94 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.363 -1.081 . . . . 0.0 110.103 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -77.64 -33.78 53.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.0 110.171 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m -77.34 -31.55 54.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.844 . . . . 0.0 110.035 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.07 -28.04 25.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.0 110.161 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -65.67 114.76 5.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.29 -0.881 . . . . 0.0 110.23 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.93 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.236 0.541 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 mt -82.94 11.65 5.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.313 -0.867 . . . . 0.0 110.238 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.27 -39.02 0.07 OUTLIER Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -76.35 -26.71 55.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -1.166 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.405 HG22 HD11 ' A' ' 5' ' ' ILE . 31.3 mm -70.44 -51.28 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 110.043 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -67.13 -26.79 66.86 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.471 -0.768 . . . . 0.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.441 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 4.7 tttt -65.35 -28.01 68.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.223 -0.923 . . . . 0.0 110.386 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.73 -29.3 74.8 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 mm -75.27 -39.64 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.184 -1.186 . . . . 0.0 110.139 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -80.91 -27.31 36.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.374 -0.829 . . . . 0.0 110.202 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.4 t -63.85 -38.7 92.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -0.904 . . . . 0.0 110.195 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -13.96 48.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.38 -0.825 . . . . 0.0 110.115 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -82.44 153.53 25.61 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.247 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.89 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.8 pt . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.255 0.55 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 17.9 mt -69.56 -49.2 56.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.283 -0.886 . . . . 0.0 110.211 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.85 -35.03 80.72 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -60.63 -29.2 69.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -1.175 . . . . 0.0 110.068 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.1 mm -79.49 -55.35 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.342 -0.849 . . . . 0.0 110.016 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 32.6 m95 -61.3 -35.89 78.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.486 -0.759 . . . . 0.0 110.22 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HG2' ' HE3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -84.49 -19.34 33.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.312 -0.867 . . . . 0.0 110.181 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.98 -28.34 34.76 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.0 mt -79.51 -36.92 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -1.179 . . . . 0.0 110.301 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 11' ' ' SER . 11.8 pttp -84.26 -23.46 30.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 110.324 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.467 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 28.8 t -72.09 -37.42 69.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.201 -0.937 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.23 -38.73 18.59 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.381 -0.825 . . . . 0.0 110.095 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.452 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 7.7 t80 -85.21 -15.07 44.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.171 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.902 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.241 0.543 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 31.8 mt -84.73 14.12 5.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -138.11 -37.77 0.14 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -78.54 -27.02 45.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.267 -1.137 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 mm -70.8 -51.31 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.0 110.219 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -64.09 -35.09 79.6 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.356 -0.84 . . . . 0.0 110.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -64.85 -17.45 64.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.438 -0.789 . . . . 0.0 110.148 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.66 -49.57 36.03 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mt -70.35 -23.7 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -1.104 . . . . 0.0 110.042 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -72.73 -28.9 62.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 0.0 110.128 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -79.34 -23.48 43.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.855 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 1.7 mt -84.94 -26.13 27.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.28 -0.888 . . . . 0.0 110.162 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.53 70.54 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 0.0 110.129 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.465 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.927 -1.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.462 ' O ' ' CG1' ' A' ' 5' ' ' ILE . 18.8 pt . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.208 0.528 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 2.8 mt -85.23 -64.87 1.08 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 110.128 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 7' ' ' LYS . . . -57.31 -21.62 41.12 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -85.12 -34.95 22.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -1.13 . . . . 0.0 110.397 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 1' ' ' ILE . 18.9 mm -82.85 -54.99 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.327 -0.858 . . . . 0.0 110.406 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.56 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 29.3 m95 -62.22 -19.23 62.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.384 -0.822 . . . . 0.0 110.421 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -86.25 -24.13 26.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.94 . . . . 0.0 110.203 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.4 -30.61 27.11 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -80.84 -37.51 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.295 -1.121 . . . . 0.0 110.118 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -73.68 -22.53 59.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.177 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -26.78 39.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.296 -0.877 . . . . 0.0 110.194 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.1 -18.38 34.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.197 -0.939 . . . . 0.0 110.17 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -78.06 -174.25 3.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.273 -0.892 . . . . 0.0 110.19 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.862 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.248 0.547 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 3.6 mt -69.73 -49.48 52.74 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.0 110.128 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.73 -22.4 40.1 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -74.16 -31.74 62.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.199 -1.177 . . . . 0.0 110.119 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.412 ' O ' HG12 ' A' ' 9' ' ' ILE . 19.2 mm -76.73 -50.82 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.338 -0.852 . . . . 0.0 110.025 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 33.3 m95 -60.68 -37.1 80.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.469 -0.769 . . . . 0.0 110.212 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -70.8 -28.34 64.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -0.817 . . . . 0.0 110.11 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.448 ' O ' HD11 ' A' ' 12' ' ' LEU . . . -76.98 -25.82 63.57 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 5' ' ' ILE . 20.7 mm -68.53 -48.74 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -1.101 . . . . 0.0 110.184 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -23.73 65.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.462 -0.773 . . . . 0.0 110.133 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m -80.63 -22.55 40.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 110.176 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 HD11 ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -84.95 -29.78 24.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.213 -0.93 . . . . 0.0 110.137 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -49.7 149.66 2.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.874 . . . . 0.0 110.226 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.915 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.322 0.582 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 82.1 mt -67.27 -48.56 67.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.208 -0.933 . . . . 0.0 109.991 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -52.44 -39.53 52.68 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.33 -30.88 67.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.257 -1.143 . . . . 0.0 109.937 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 14.4 mm -74.21 -56.58 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.866 . . . . 0.0 109.948 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 12.2 m0 -60.13 -32.26 70.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.371 -0.831 . . . . 0.0 110.354 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 8.5 tttt -69.58 -25.99 64.25 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.087 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.15 -23.21 78.08 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 23.0 mm -78.09 -36.28 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -1.157 . . . . 0.0 110.211 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.461 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -76.67 -16.66 59.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.346 -0.846 . . . . 0.0 110.082 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.448 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.0 m -78.85 -46.99 17.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.319 -0.863 . . . . 0.0 110.164 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -85.16 -22.93 28.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.479 -0.763 . . . . 0.0 110.146 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 45.8 t80 -84.4 -34.04 23.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.284 -0.885 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.947 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 33.3 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.199 0.524 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 62.7 mt -66.19 -46.29 77.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.312 -0.867 . . . . 0.0 110.101 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.92 -30.51 69.97 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 0.5 OUTLIER -62.37 -34.21 76.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.322 -1.105 . . . . 0.0 110.059 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.435 HG21 HD11 ' A' ' 9' ' ' ILE . 43.3 mt -72.49 -55.63 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.367 -0.833 . . . . 0.0 109.798 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 33.6 m95 -59.43 -28.31 66.83 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 110.236 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 9.7 tttt -86.72 -20.89 27.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.306 -0.871 . . . . 0.0 110.15 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.9 -35.09 16.65 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.435 HD11 HG21 ' A' ' 5' ' ' ILE . 4.5 mt -74.89 -29.58 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.331 -1.1 . . . . 0.0 110.174 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 12.1 ptmm? -85.12 -26.33 26.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 110.257 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.11 -37.12 78.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.247 -0.908 . . . . 0.0 110.214 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 3.4 tm? -85.06 -39.96 17.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.296 -0.877 . . . . 0.0 110.25 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -65.72 75.92 0.07 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.302 -0.874 . . . . 0.0 110.204 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.455 HG13 ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.342 0.591 . . . . 0.0 110.215 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.576 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 2.0 mp -69.77 -50.73 40.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.178 -0.952 . . . . 0.0 110.002 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.47 -27.15 40.26 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB2' HG13 ' A' ' 1' ' ' ILE . 24.2 mmtt -68.19 -36.16 79.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -1.095 . . . . 0.0 110.109 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 5' ' ' ILE . 55.5 mt -69.96 -52.38 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.267 -0.896 . . . . 0.0 109.899 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 11.7 m0 -60.89 -37.62 82.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.417 -0.802 . . . . 0.0 110.143 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 tppp? -79.62 -25.67 41.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.457 -0.777 . . . . 0.0 110.048 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.55 -29.22 53.35 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.1 mm -72.55 -38.47 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -1.129 . . . . 0.0 110.132 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.85 -23.38 63.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.397 -0.815 . . . . 0.0 110.019 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -77.37 -20.6 54.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 110.104 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tp -80.69 -38.01 29.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.883 . . . . 0.0 110.174 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -84.47 -69.63 0.63 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.237 -0.914 . . . . 0.0 110.185 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.837 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.461 ' O ' HG12 ' A' ' 5' ' ' ILE . 5.2 mp . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.287 0.565 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 1.1 mt -84.1 -63.12 1.4 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.161 -0.962 . . . . 0.0 110.069 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.72 -33.06 62.39 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -65.74 -32.07 73.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -1.141 . . . . 0.0 110.074 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 1' ' ' ILE . 13.8 mm -74.17 -53.72 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 35.7 m95 -57.47 -26.51 61.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.471 -0.768 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 17.9 ttmm -75.3 -25.53 57.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.102 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.07 72.14 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.434 HG23 HD13 ' A' ' 9' ' ' ILE . 17.1 mm -74.09 -43.18 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.347 -1.09 . . . . 0.0 110.113 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -74.11 -30.49 62.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 0.0 110.088 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -75.83 -21.43 57.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.306 -0.871 . . . . 0.0 109.959 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.528 ' CD1' ' O ' ' A' ' 12' ' ' LEU . 1.9 tm? -80.75 -21.67 40.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.312 -0.868 . . . . 0.0 110.049 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -42.17 157.81 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.311 -0.868 . . . . 0.0 110.23 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.441 ' O ' HD11 ' A' ' 5' ' ' ILE . 42.4 mm . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.277 0.56 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mt -80.48 6.47 12.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 110.179 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.85 -39.79 0.06 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -73.47 -26.53 60.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.277 -1.131 . . . . 0.0 110.192 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.441 HD11 ' O ' ' A' ' 1' ' ' ILE . 19.1 mt -68.93 -51.94 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.973 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -58.61 -24.19 60.49 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 110.195 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 11' ' ' SER . 0.1 OUTLIER -67.73 -41.2 83.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 0.0 110.255 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.72 -26.64 40.35 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 mm -75.98 -52.41 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.205 -1.174 . . . . 0.0 110.33 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -74.72 -21.39 59.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 0.0 110.337 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 3.5 t -74.01 -24.3 59.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.929 . . . . 0.0 110.206 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.72 -33.61 23.08 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.196 -0.94 . . . . 0.0 110.187 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -37.53 64.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 0.0 110.199 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.49 HG13 ' N ' ' A' ' 2' ' ' LEU . 45.9 pt . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.122 0.487 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.49 ' N ' HG13 ' A' ' 1' ' ' ILE . 15.4 mt -64.1 -46.87 82.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.076 -1.015 . . . . 0.0 110.041 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.11 -40.62 44.43 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -59.05 -31.21 68.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.219 -1.165 . . . . 0.0 110.051 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 47.9 mt -72.84 -54.3 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.388 -0.82 . . . . 0.0 110.144 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.5 -33.12 70.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.35 -0.844 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 11.1 tmtt? -75.0 -20.72 59.52 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.67 -29.69 38.51 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mt -72.69 -34.36 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -1.152 . . . . 0.0 110.327 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -76.61 -24.18 53.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 110.352 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -76.39 -23.77 54.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.247 -0.908 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.476 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 3.4 tm? -83.9 -26.41 29.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.0 110.137 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -79.81 167.08 21.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.52 HG21 ' CG ' ' A' ' 4' ' ' LYS . 16.6 tt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.187 0.517 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.8 OUTLIER -65.15 -45.77 83.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.278 -0.889 . . . . 0.0 109.969 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.449 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -54.11 -39.2 62.96 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.52 ' CG ' HG21 ' A' ' 1' ' ' ILE . 17.9 mmtm -58.66 -30.62 67.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.244 -1.151 . . . . 0.0 109.866 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 12.8 mt -73.96 -55.54 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.0 109.879 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 14.3 m0 -57.41 -23.76 51.38 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.483 -0.76 . . . . 0.0 110.161 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 13.8 tttt -71.77 -33.59 68.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.887 . . . . 0.0 110.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.06 -26.32 37.52 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.4 mm -79.76 -26.34 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.259 -1.142 . . . . 0.0 110.198 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 17.7 ptmt -84.78 -23.34 29.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.312 -0.867 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -80.01 -26.43 39.85 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.274 -0.891 . . . . 0.0 110.211 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -84.94 -27.62 26.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 110.137 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -38.98 23.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.271 -0.893 . . . . 0.0 110.222 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 51.1 mm . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.272 0.558 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.574 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 3.1 mp -73.82 -55.67 5.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.179 -0.951 . . . . 0.0 109.973 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.563 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -55.0 -32.82 56.76 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -61.74 -33.14 73.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -1.106 . . . . 0.0 110.026 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 2' ' ' LEU . 47.4 mt -72.95 -51.56 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.0 109.932 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 10.5 m0 -61.07 -39.07 88.48 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.405 -0.81 . . . . 0.0 110.104 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -26.59 64.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.398 -0.814 . . . . 0.0 110.092 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.23 -30.15 59.24 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.7 mt -66.19 -41.08 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -1.104 . . . . 0.0 110.045 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -67.73 -22.9 65.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 0.0 110.004 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -78.71 -23.14 45.7 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.282 -0.886 . . . . 0.0 110.008 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tp -78.6 -26.28 45.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.304 -0.873 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -72.73 0.1 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.251 -0.906 . . . . 0.0 110.153 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.837 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.204 0.526 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.05 2.68 12.16 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.317 -0.865 . . . . 0.0 110.333 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.44 -38.45 0.1 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -65.85 -29.66 70.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.263 -1.139 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 mm -71.09 -52.67 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 110.148 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -61.44 -39.14 89.75 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.408 -0.807 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -64.88 -26.98 68.56 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.394 -0.816 . . . . 0.0 110.108 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.5 -15.51 81.32 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.426 HD12 HG21 ' A' ' 9' ' ' ILE . 17.4 mm -81.99 -30.27 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -1.108 . . . . 0.0 110.216 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.77 -18.88 39.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.283 -0.886 . . . . 0.0 110.145 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.507 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -84.3 -26.07 28.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.064 179.856 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 tp -83.38 -26.08 30.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.882 . . . . 0.0 110.152 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.7 -39.77 50.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.191 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.901 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.427 HG13 ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.296 0.569 . . . . 0.0 110.221 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.4 mt -64.97 -44.89 87.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.918 . . . . 0.0 110.018 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 7' ' ' LYS . . . -55.06 -39.13 68.21 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HB2' HG13 ' A' ' 1' ' ' ILE . 9.3 mmmt -59.04 -29.35 67.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -1.151 . . . . 0.0 110.008 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.3 mm -77.54 -57.63 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 0.0 110.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.454 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 33.5 m95 -60.28 -36.9 78.89 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.425 -0.797 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 11.7 ttpt -86.63 -22.56 26.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.397 -0.814 . . . . 0.0 110.182 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.92 -27.06 54.51 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.3 mm -81.26 -41.61 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.243 -1.151 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -74.53 -20.06 60.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.404 -0.81 . . . . 0.0 110.092 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.478 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.4 t -81.07 -26.76 36.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.871 . . . . 0.0 110.095 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.3 -24.66 42.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.882 . . . . 0.0 110.123 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -72.41 110.95 7.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.872 . . . . 0.0 110.172 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.521 ' O ' ' CD1' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.23 0.538 . . . . 0.0 110.096 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.569 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 87.4 mt -74.45 -57.35 3.99 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.179 -0.951 . . . . 0.0 109.964 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.467 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -50.87 -36.87 34.38 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -60.31 -33.14 71.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -1.104 . . . . 0.0 110.091 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 1' ' ' ILE . 64.8 mt -72.37 -53.37 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.398 -0.814 . . . . 0.0 110.136 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.569 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 13.2 m0 -59.11 -28.81 66.88 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.394 -0.816 . . . . 0.0 110.369 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -82.73 -20.53 35.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.285 -0.884 . . . . 0.0 110.108 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.94 -30.52 25.83 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mm -75.61 -38.63 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.254 -1.145 . . . . 0.0 110.156 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -73.18 -24.09 60.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.888 . . . . 0.0 110.132 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 m -76.8 -20.97 55.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.248 -0.907 . . . . 0.0 110.112 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.2 -24.63 27.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.246 -0.909 . . . . 0.0 110.145 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -53.0 -171.78 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.237 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.301 0.572 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.567 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 0.9 OUTLIER -71.64 -52.14 19.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.248 -0.908 . . . . 0.0 110.002 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -55.74 -27.5 49.77 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -67.64 -35.25 78.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -1.179 . . . . 0.0 110.135 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.3 mt -74.02 -51.84 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.404 -0.81 . . . . 0.0 110.127 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 34.9 m95 -58.91 -30.86 68.12 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.388 -0.82 . . . . 0.0 110.196 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 11' ' ' SER . 13.9 tttm -67.1 -28.46 68.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 110.14 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.41 -25.26 74.87 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.5 mt -75.07 -62.28 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -1.133 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -8.92 38.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.407 -0.808 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 2.7 m -80.43 -33.3 37.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.195 -0.941 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.02 -22.5 29.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.324 -0.86 . . . . 0.0 110.196 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -45.31 -84.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.199 -0.938 . . . . 0.0 110.289 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.586 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.1 mp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.321 0.581 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 7' ' ' LYS . . . -81.76 -30.84 34.44 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -32.35 68.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -1.134 . . . . 0.0 110.002 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 mm -77.68 -56.79 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.586 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.7 m0 -60.77 -31.07 70.43 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.392 -0.817 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.502 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 2.2 ttpm? -89.33 -28.56 19.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.344 -0.847 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.85 -28.17 55.15 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mt -85.14 -40.89 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.275 -1.132 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -70.95 -23.48 62.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.306 -0.871 . . . . 0.0 110.089 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 3.1 m -82.63 -24.88 33.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.226 -0.921 . . . . 0.0 109.968 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.41 -21.38 30.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.287 -0.883 . . . . 0.0 110.106 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.897 . . . . 0.0 110.198 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.587 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.5 mp . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.295 0.569 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.28 -18.98 59.64 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.78 -34.39 74.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.195 -1.179 . . . . 0.0 110.071 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.9 mm -79.07 -54.37 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 0.0 110.054 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.587 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.6 m0 -58.74 -31.55 68.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.433 -0.792 . . . . 0.0 110.21 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -30.21 68.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.362 -0.836 . . . . 0.0 110.098 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.56 -17.19 78.08 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.27 -66.03 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -1.14 . . . . 0.0 110.133 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -13.42 34.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.383 -0.823 . . . . 0.0 110.262 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 t -83.77 -26.65 29.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.244 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -84.82 -24.08 28.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 110.238 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.339 -0.851 . . . . 0.0 110.252 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.592 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.6 mt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.284 0.564 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.0 -24.1 77.45 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -60.9 -37.61 82.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -1.133 . . . . 0.0 110.006 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 2' ' ' LEU . 3.8 mt -71.97 -56.52 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.845 . . . . 0.0 109.699 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.592 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.0 m0 -60.37 -22.06 62.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.513 -0.742 . . . . 0.0 110.046 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -70.46 -26.98 63.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.272 -0.892 . . . . 0.0 109.996 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.71 -31.06 63.02 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 mt -83.61 -26.94 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.363 -1.081 . . . . 0.0 110.103 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -77.64 -33.78 53.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.0 110.171 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m -77.34 -31.55 54.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.844 . . . . 0.0 110.035 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -85.07 -28.04 25.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.0 110.161 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.29 -0.881 . . . . 0.0 110.23 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.19 0.519 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.27 -39.02 0.07 OUTLIER Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -76.35 -26.71 55.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -1.166 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.3 mm -70.44 -51.28 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 110.043 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -67.13 -26.79 66.86 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.471 -0.768 . . . . 0.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 4.7 tttt -65.35 -28.01 68.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.223 -0.923 . . . . 0.0 110.386 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.73 -29.3 74.8 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 mm -75.27 -39.64 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.184 -1.186 . . . . 0.0 110.139 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -80.91 -27.31 36.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.374 -0.829 . . . . 0.0 110.202 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.4 t -63.85 -38.7 92.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -0.904 . . . . 0.0 110.195 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -13.96 48.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.38 -0.825 . . . . 0.0 110.115 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.247 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 17.9 mt . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.322 0.582 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.85 -35.03 80.72 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -60.63 -29.2 69.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -1.175 . . . . 0.0 110.068 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 5' ' ' ILE . 28.1 mm -79.49 -55.35 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.342 -0.849 . . . . 0.0 110.016 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 32.6 m95 -61.3 -35.89 78.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.486 -0.759 . . . . 0.0 110.22 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HG2' ' HE3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -84.49 -19.34 33.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.312 -0.867 . . . . 0.0 110.181 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.98 -28.34 34.76 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.0 mt -79.51 -36.92 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -1.179 . . . . 0.0 110.301 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 11' ' ' SER . 11.8 pttp -84.26 -23.46 30.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 110.324 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 28.8 t -72.09 -37.42 69.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.201 -0.937 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.23 -38.73 18.59 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.381 -0.825 . . . . 0.0 110.095 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.452 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 7.7 t80 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.171 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 2' ' ' LEU . 31.8 mt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.229 0.537 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -138.11 -37.77 0.14 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -78.54 -27.02 45.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.267 -1.137 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 mm -70.8 -51.31 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.0 110.219 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -64.09 -35.09 79.6 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.356 -0.84 . . . . 0.0 110.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -64.85 -17.45 64.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.438 -0.789 . . . . 0.0 110.148 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.66 -49.57 36.03 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mt -70.35 -23.7 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -1.104 . . . . 0.0 110.042 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -72.73 -28.9 62.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 0.0 110.128 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -79.34 -23.48 43.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.855 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.94 -26.13 27.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.28 -0.888 . . . . 0.0 110.162 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 0.0 110.129 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.645 HD23 ' HE1' ' A' ' 6' ' ' TRP . 2.8 mt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.191 0.52 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 7' ' ' LYS . . . -57.31 -21.62 41.12 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -85.12 -34.95 22.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -1.13 . . . . 0.0 110.397 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 5' ' ' ILE . 18.9 mm -82.85 -54.99 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.327 -0.858 . . . . 0.0 110.406 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.645 ' HE1' HD23 ' A' ' 2' ' ' LEU . 29.3 m95 -62.22 -19.23 62.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.384 -0.822 . . . . 0.0 110.421 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -86.25 -24.13 26.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.94 . . . . 0.0 110.203 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.4 -30.61 27.11 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -80.84 -37.51 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.295 -1.121 . . . . 0.0 110.118 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.68 -22.53 59.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.177 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -26.78 39.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.296 -0.877 . . . . 0.0 110.194 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.1 -18.38 34.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.197 -0.939 . . . . 0.0 110.17 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.273 -0.892 . . . . 0.0 110.19 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 3.6 mt . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.189 0.518 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.73 -22.4 40.1 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -74.16 -31.74 62.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.199 -1.177 . . . . 0.0 110.119 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 9' ' ' ILE . 19.2 mm -76.73 -50.82 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.338 -0.852 . . . . 0.0 110.025 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 33.3 m95 -60.68 -37.1 80.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.469 -0.769 . . . . 0.0 110.212 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -70.8 -28.34 64.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -0.817 . . . . 0.0 110.11 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.98 -25.82 63.57 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.439 ' HA ' HD13 ' A' ' 9' ' ' ILE . 20.7 mm -68.53 -48.74 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -1.101 . . . . 0.0 110.184 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -23.73 65.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.462 -0.773 . . . . 0.0 110.133 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m -80.63 -22.55 40.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 110.176 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -29.78 24.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.213 -0.93 . . . . 0.0 110.137 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.874 . . . . 0.0 110.226 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 82.1 mt . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.305 0.574 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -52.44 -39.53 52.68 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.33 -30.88 67.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.257 -1.143 . . . . 0.0 109.937 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 14.4 mm -74.21 -56.58 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.866 . . . . 0.0 109.948 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 12.2 m0 -60.13 -32.26 70.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.371 -0.831 . . . . 0.0 110.354 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.534 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 8.5 tttt -69.58 -25.99 64.25 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.087 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.15 -23.21 78.08 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 23.0 mm -78.09 -36.28 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -1.157 . . . . 0.0 110.211 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.534 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -76.67 -16.66 59.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.346 -0.846 . . . . 0.0 110.082 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.0 m -78.85 -46.99 17.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.319 -0.863 . . . . 0.0 110.164 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.7 mt -85.16 -22.93 28.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.479 -0.763 . . . . 0.0 110.146 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 45.8 t80 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.284 -0.885 . . . . 0.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 62.7 mt . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.299 0.571 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.92 -30.51 69.97 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -34.21 76.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.322 -1.105 . . . . 0.0 110.059 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.927 ' O ' HD12 ' A' ' 9' ' ' ILE . 43.3 mt -72.49 -55.63 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.367 -0.833 . . . . 0.0 109.798 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 33.6 m95 -59.43 -28.31 66.83 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 110.236 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 9.7 tttt -86.72 -20.89 27.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.306 -0.871 . . . . 0.0 110.15 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.9 -35.09 16.65 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.927 HD12 ' O ' ' A' ' 5' ' ' ILE . 4.5 mt -74.89 -29.58 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.331 -1.1 . . . . 0.0 110.174 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 12.1 ptmm? -85.12 -26.33 26.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 110.257 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.11 -37.12 78.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.247 -0.908 . . . . 0.0 110.214 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 12' ' ' LEU . 3.4 tm? -85.06 -39.96 17.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.296 -0.877 . . . . 0.0 110.25 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.302 -0.874 . . . . 0.0 110.204 179.898 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.603 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 2.0 mp . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.216 0.532 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.47 -27.15 40.26 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -68.19 -36.16 79.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -1.095 . . . . 0.0 110.109 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.5 mt -69.96 -52.38 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.267 -0.896 . . . . 0.0 109.899 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.603 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 11.7 m0 -60.89 -37.62 82.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.417 -0.802 . . . . 0.0 110.143 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 tppp? -79.62 -25.67 41.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.457 -0.777 . . . . 0.0 110.048 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.55 -29.22 53.35 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.1 mm -72.55 -38.47 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -1.129 . . . . 0.0 110.132 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.85 -23.38 63.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.397 -0.815 . . . . 0.0 110.019 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.502 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -77.37 -20.6 54.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 110.104 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tp -80.69 -38.01 29.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.883 . . . . 0.0 110.174 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.237 -0.914 . . . . 0.0 110.185 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 1.1 mt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.303 0.573 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.72 -33.06 62.39 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -65.74 -32.07 73.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -1.141 . . . . 0.0 110.074 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 5' ' ' ILE . 13.8 mm -74.17 -53.72 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 35.7 m95 -57.47 -26.51 61.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.471 -0.768 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 17.9 ttmm -75.3 -25.53 57.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.102 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.07 72.14 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.466 ' HA ' HD13 ' A' ' 9' ' ' ILE . 17.1 mm -74.09 -43.18 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.347 -1.09 . . . . 0.0 110.113 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -74.11 -30.49 62.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 0.0 110.088 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -75.83 -21.43 57.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.306 -0.871 . . . . 0.0 109.959 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.997 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.9 tm? -80.75 -21.67 40.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.312 -0.868 . . . . 0.0 110.049 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.311 -0.868 . . . . 0.0 110.23 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.314 0.578 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.85 -39.79 0.06 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -73.47 -26.53 60.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.277 -1.131 . . . . 0.0 110.192 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.1 mt -68.93 -51.94 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.973 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -58.61 -24.19 60.49 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 110.195 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 11' ' ' SER . 0.1 OUTLIER -67.73 -41.2 83.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 0.0 110.255 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.72 -26.64 40.35 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 mm -75.98 -52.41 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.205 -1.174 . . . . 0.0 110.33 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 7.6 ptpt -74.72 -21.39 59.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 0.0 110.337 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 3.5 t -74.01 -24.3 59.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.929 . . . . 0.0 110.206 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.72 -33.61 23.08 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.196 -0.94 . . . . 0.0 110.187 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 0.0 110.199 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' A' ' 5' ' ' ILE . 15.4 mt . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.347 0.594 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.11 -40.62 44.43 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -59.05 -31.21 68.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.219 -1.165 . . . . 0.0 110.051 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 2' ' ' LEU . 47.9 mt -72.84 -54.3 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.388 -0.82 . . . . 0.0 110.144 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.5 -33.12 70.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.35 -0.844 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 11.1 tmtt? -75.0 -20.72 59.52 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.67 -29.69 38.51 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mt -72.69 -34.36 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -1.152 . . . . 0.0 110.327 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -76.61 -24.18 53.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 110.352 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -76.39 -23.77 54.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.247 -0.908 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.991 HD13 ' O ' ' A' ' 12' ' ' LEU . 3.4 tm? -83.9 -26.41 29.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.0 110.137 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.744 ' HA ' HD12 ' A' ' 5' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.261 0.553 . . . . 0.0 109.969 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.451 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -54.11 -39.2 62.96 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -58.66 -30.62 67.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.244 -1.151 . . . . 0.0 109.866 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 2' ' ' LEU . 12.8 mt -73.96 -55.54 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.0 109.879 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.603 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 14.3 m0 -57.41 -23.76 51.38 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.483 -0.76 . . . . 0.0 110.161 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 13.8 tttt -71.77 -33.59 68.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.887 . . . . 0.0 110.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.06 -26.32 37.52 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.4 mm -79.76 -26.34 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.259 -1.142 . . . . 0.0 110.198 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 17.7 ptmt -84.78 -23.34 29.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.312 -0.867 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -80.01 -26.43 39.85 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.274 -0.891 . . . . 0.0 110.211 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -84.94 -27.62 26.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 110.137 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.271 -0.893 . . . . 0.0 110.222 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.599 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 3.1 mp . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.286 0.565 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.568 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -55.0 -32.82 56.76 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -61.74 -33.14 73.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -1.106 . . . . 0.0 110.026 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 2' ' ' LEU . 47.4 mt -72.95 -51.56 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.0 109.932 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.7 ' HA ' HD12 ' A' ' 9' ' ' ILE . 10.5 m0 -61.07 -39.07 88.48 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.405 -0.81 . . . . 0.0 110.104 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -26.59 64.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.398 -0.814 . . . . 0.0 110.092 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.23 -30.15 59.24 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 6' ' ' TRP . 67.7 mt -66.19 -41.08 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -1.104 . . . . 0.0 110.045 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -67.73 -22.9 65.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 0.0 110.004 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -78.71 -23.14 45.7 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.282 -0.886 . . . . 0.0 110.008 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.405 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 4.9 tp -78.6 -26.28 45.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.304 -0.873 . . . . 0.0 110.185 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.251 -0.906 . . . . 0.0 110.153 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.118 0.485 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.44 -38.45 0.1 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -65.85 -29.66 70.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.263 -1.139 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 mm -71.09 -52.67 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 110.148 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -61.44 -39.14 89.75 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.408 -0.807 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -64.88 -26.98 68.56 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.394 -0.816 . . . . 0.0 110.108 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.5 -15.51 81.32 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 9' ' ' ILE . 17.4 mm -81.99 -30.27 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -1.108 . . . . 0.0 110.216 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.77 -18.88 39.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.283 -0.886 . . . . 0.0 110.145 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.51 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -84.3 -26.07 28.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.064 179.856 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 tp -83.38 -26.08 30.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.882 . . . . 0.0 110.152 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.191 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.326 0.584 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 7' ' ' LYS . . . -55.06 -39.13 68.21 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -59.04 -29.35 67.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -1.151 . . . . 0.0 110.008 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.3 mm -77.54 -57.63 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 0.0 110.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.464 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 33.5 m95 -60.28 -36.9 78.89 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.425 -0.797 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 11.7 ttpt -86.63 -22.56 26.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.397 -0.814 . . . . 0.0 110.182 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.92 -27.06 54.51 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.3 mm -81.26 -41.61 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.243 -1.151 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -74.53 -20.06 60.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.404 -0.81 . . . . 0.0 110.092 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.4 t -81.07 -26.76 36.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.871 . . . . 0.0 110.095 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.3 -24.66 42.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.882 . . . . 0.0 110.123 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.872 . . . . 0.0 110.172 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.59 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 87.4 mt . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.345 0.593 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.468 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -50.87 -36.87 34.38 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -60.31 -33.14 71.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -1.104 . . . . 0.0 110.091 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 5' ' ' ILE . 64.8 mt -72.37 -53.37 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.398 -0.814 . . . . 0.0 110.136 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.59 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 13.2 m0 -59.11 -28.81 66.88 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.394 -0.816 . . . . 0.0 110.369 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -82.73 -20.53 35.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.285 -0.884 . . . . 0.0 110.108 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.94 -30.52 25.83 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mm -75.61 -38.63 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.254 -1.145 . . . . 0.0 110.156 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -73.18 -24.09 60.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.888 . . . . 0.0 110.132 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 m -76.8 -20.97 55.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.248 -0.907 . . . . 0.0 110.112 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.2 -24.63 27.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.246 -0.909 . . . . 0.0 110.145 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.237 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.567 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.284 0.564 . . . . 0.0 110.002 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -55.74 -27.5 49.77 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -67.64 -35.25 78.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -1.179 . . . . 0.0 110.135 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.3 mt -74.02 -51.84 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.404 -0.81 . . . . 0.0 110.127 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 34.9 m95 -58.91 -30.86 68.12 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.388 -0.82 . . . . 0.0 110.196 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 11' ' ' SER . 13.9 tttm -67.1 -28.46 68.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 110.14 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.41 -25.26 74.87 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.5 mt -75.07 -62.28 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -1.133 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -8.92 38.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.407 -0.808 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 2.7 m -80.43 -33.3 37.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.195 -0.941 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.02 -22.5 29.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.324 -0.86 . . . . 0.0 110.196 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.199 -0.938 . . . . 0.0 110.289 179.901 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 1' ' ' ILE . 7.1 mt . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.173 0.511 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.586 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.1 mp -65.15 -44.42 88.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.199 -0.938 . . . . 0.0 110.139 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 7' ' ' LYS . . . -81.76 -30.84 34.44 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -32.35 68.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -1.134 . . . . 0.0 110.002 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 mm -77.68 -56.79 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.586 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.7 m0 -60.77 -31.07 70.43 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.392 -0.817 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.502 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 2.2 ttpm? -89.33 -28.56 19.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.344 -0.847 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.85 -28.17 55.15 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mt -85.14 -40.89 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.275 -1.132 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -70.95 -23.48 62.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.306 -0.871 . . . . 0.0 110.089 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 3.1 m -82.63 -24.88 33.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.226 -0.921 . . . . 0.0 109.968 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.41 -21.38 30.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.287 -0.883 . . . . 0.0 110.106 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.0 -31.08 0.48 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.897 . . . . 0.0 110.198 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 2.4 mp . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.252 0.549 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.587 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.5 mp -60.56 -36.94 79.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 109.927 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.28 -18.98 59.64 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -60.78 -34.39 74.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.195 -1.179 . . . . 0.0 110.071 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.9 mm -79.07 -54.37 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 0.0 110.054 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.587 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.6 m0 -58.74 -31.55 68.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.433 -0.792 . . . . 0.0 110.21 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -30.21 68.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.362 -0.836 . . . . 0.0 110.098 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.56 -17.19 78.08 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.27 -66.03 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -1.14 . . . . 0.0 110.133 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -13.42 34.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.383 -0.823 . . . . 0.0 110.262 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 t -83.77 -26.65 29.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.244 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -84.82 -24.08 28.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 110.238 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -75.44 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.339 -0.851 . . . . 0.0 110.252 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.88 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 24.0 mt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.237 0.542 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.592 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.6 mt -64.51 -43.58 93.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 110.068 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.0 -24.1 77.45 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 12.8 mmtm -60.9 -37.61 82.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -1.133 . . . . 0.0 110.006 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 2' ' ' LEU . 3.8 mt -71.97 -56.52 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.845 . . . . 0.0 109.699 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.592 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.0 m0 -60.37 -22.06 62.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.513 -0.742 . . . . 0.0 110.046 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -70.46 -26.98 63.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.272 -0.892 . . . . 0.0 109.996 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.71 -31.06 63.02 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 mt -83.61 -26.94 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.363 -1.081 . . . . 0.0 110.103 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -77.64 -33.78 53.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.0 110.171 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m -77.34 -31.55 54.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.844 . . . . 0.0 110.035 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -85.07 -28.04 25.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.0 110.161 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -65.67 114.76 5.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.29 -0.881 . . . . 0.0 110.23 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.93 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.236 0.541 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 mt -82.94 11.65 5.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.313 -0.867 . . . . 0.0 110.238 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.27 -39.02 0.07 OUTLIER Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -76.35 -26.71 55.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -1.166 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.3 mm -70.44 -51.28 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 110.043 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -67.13 -26.79 66.86 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.471 -0.768 . . . . 0.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 4.7 tttt -65.35 -28.01 68.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.223 -0.923 . . . . 0.0 110.386 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.73 -29.3 74.8 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 mm -75.27 -39.64 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.184 -1.186 . . . . 0.0 110.139 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -80.91 -27.31 36.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.374 -0.829 . . . . 0.0 110.202 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.4 t -63.85 -38.7 92.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -0.904 . . . . 0.0 110.195 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -13.96 48.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.38 -0.825 . . . . 0.0 110.115 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -82.44 153.53 25.61 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.247 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.89 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 1' ' ' ILE . 5.8 pt . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.255 0.55 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 17.9 mt -69.56 -49.2 56.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.283 -0.886 . . . . 0.0 110.211 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.85 -35.03 80.72 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -60.63 -29.2 69.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -1.175 . . . . 0.0 110.068 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 5' ' ' ILE . 28.1 mm -79.49 -55.35 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.342 -0.849 . . . . 0.0 110.016 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 32.6 m95 -61.3 -35.89 78.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.486 -0.759 . . . . 0.0 110.22 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HG2' ' HE3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -84.49 -19.34 33.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.312 -0.867 . . . . 0.0 110.181 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.98 -28.34 34.76 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.0 mt -79.51 -36.92 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -1.179 . . . . 0.0 110.301 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 11' ' ' SER . 11.8 pttp -84.26 -23.46 30.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 110.324 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 28.8 t -72.09 -37.42 69.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.201 -0.937 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.23 -38.73 18.59 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.381 -0.825 . . . . 0.0 110.095 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.452 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 7.7 t80 -85.21 -15.07 44.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.171 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.902 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.432 HG22 ' HG ' ' A' ' 2' ' ' LEU . 4.5 mt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.241 0.543 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 2' ' ' LEU . 31.8 mt -84.73 14.12 5.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -138.11 -37.77 0.14 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -78.54 -27.02 45.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.267 -1.137 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 mm -70.8 -51.31 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.0 110.219 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -64.09 -35.09 79.6 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.356 -0.84 . . . . 0.0 110.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -64.85 -17.45 64.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.438 -0.789 . . . . 0.0 110.148 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.66 -49.57 36.03 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mt -70.35 -23.7 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -1.104 . . . . 0.0 110.042 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -72.73 -28.9 62.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 0.0 110.128 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -79.34 -23.48 43.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.855 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 1.7 mt -84.94 -26.13 27.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.28 -0.888 . . . . 0.0 110.162 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.53 70.54 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 0.0 110.129 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.474 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.927 -1.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.462 ' O ' ' CG1' ' A' ' 5' ' ' ILE . 18.8 pt . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.208 0.528 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.645 HD23 ' HE1' ' A' ' 6' ' ' TRP . 2.8 mt -85.23 -64.87 1.08 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 110.128 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 7' ' ' LYS . . . -57.31 -21.62 41.12 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -85.12 -34.95 22.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -1.13 . . . . 0.0 110.397 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 1' ' ' ILE . 18.9 mm -82.85 -54.99 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.327 -0.858 . . . . 0.0 110.406 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.645 ' HE1' HD23 ' A' ' 2' ' ' LEU . 29.3 m95 -62.22 -19.23 62.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.384 -0.822 . . . . 0.0 110.421 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -86.25 -24.13 26.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.94 . . . . 0.0 110.203 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.4 -30.61 27.11 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -80.84 -37.51 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.295 -1.121 . . . . 0.0 110.118 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.68 -22.53 59.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.177 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -26.78 39.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.296 -0.877 . . . . 0.0 110.194 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.1 -18.38 34.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.197 -0.939 . . . . 0.0 110.17 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -78.06 -174.25 3.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.273 -0.892 . . . . 0.0 110.19 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.862 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.248 0.547 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 3.6 mt -69.73 -49.48 52.74 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.0 110.128 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.73 -22.4 40.1 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -74.16 -31.74 62.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.199 -1.177 . . . . 0.0 110.119 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 9' ' ' ILE . 19.2 mm -76.73 -50.82 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.338 -0.852 . . . . 0.0 110.025 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 33.3 m95 -60.68 -37.1 80.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.469 -0.769 . . . . 0.0 110.212 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -70.8 -28.34 64.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -0.817 . . . . 0.0 110.11 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.98 -25.82 63.57 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' HA ' HD13 ' A' ' 9' ' ' ILE . 20.7 mm -68.53 -48.74 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -1.101 . . . . 0.0 110.184 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -23.73 65.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.462 -0.773 . . . . 0.0 110.133 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m -80.63 -22.55 40.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 110.176 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -29.78 24.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.213 -0.93 . . . . 0.0 110.137 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -49.7 149.66 2.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.874 . . . . 0.0 110.226 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.915 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.322 0.582 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 82.1 mt -67.27 -48.56 67.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.208 -0.933 . . . . 0.0 109.991 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -52.44 -39.53 52.68 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.33 -30.88 67.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.257 -1.143 . . . . 0.0 109.937 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 14.4 mm -74.21 -56.58 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.866 . . . . 0.0 109.948 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 12.2 m0 -60.13 -32.26 70.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.371 -0.831 . . . . 0.0 110.354 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.534 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 8.5 tttt -69.58 -25.99 64.25 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.087 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.15 -23.21 78.08 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 23.0 mm -78.09 -36.28 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -1.157 . . . . 0.0 110.211 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.534 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -76.67 -16.66 59.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.346 -0.846 . . . . 0.0 110.082 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.0 m -78.85 -46.99 17.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.319 -0.863 . . . . 0.0 110.164 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.7 mt -85.16 -22.93 28.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.479 -0.763 . . . . 0.0 110.146 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 45.8 t80 -84.4 -34.04 23.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.284 -0.885 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.947 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 33.3 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.199 0.524 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 62.7 mt -66.19 -46.29 77.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.312 -0.867 . . . . 0.0 110.101 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.92 -30.51 69.97 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 0.5 OUTLIER -62.37 -34.21 76.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.322 -1.105 . . . . 0.0 110.059 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.927 ' O ' HD12 ' A' ' 9' ' ' ILE . 43.3 mt -72.49 -55.63 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.367 -0.833 . . . . 0.0 109.798 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 33.6 m95 -59.43 -28.31 66.83 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 110.236 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 9.7 tttt -86.72 -20.89 27.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.306 -0.871 . . . . 0.0 110.15 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.9 -35.09 16.65 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.927 HD12 ' O ' ' A' ' 5' ' ' ILE . 4.5 mt -74.89 -29.58 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.331 -1.1 . . . . 0.0 110.174 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 12.1 ptmm? -85.12 -26.33 26.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 110.257 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.11 -37.12 78.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.247 -0.908 . . . . 0.0 110.214 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 12' ' ' LEU . 3.4 tm? -85.06 -39.96 17.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.296 -0.877 . . . . 0.0 110.25 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -65.72 75.92 0.07 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.302 -0.874 . . . . 0.0 110.204 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.483 HG13 ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.342 0.591 . . . . 0.0 110.215 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.633 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.0 mp -69.77 -50.73 40.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.178 -0.952 . . . . 0.0 110.002 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.47 -27.15 40.26 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.483 ' HB2' HG13 ' A' ' 1' ' ' ILE . 24.2 mmtt -68.19 -36.16 79.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -1.095 . . . . 0.0 110.109 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.5 mt -69.96 -52.38 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.267 -0.896 . . . . 0.0 109.899 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.603 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 11.7 m0 -60.89 -37.62 82.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.417 -0.802 . . . . 0.0 110.143 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 tppp? -79.62 -25.67 41.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.457 -0.777 . . . . 0.0 110.048 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.55 -29.22 53.35 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.1 mm -72.55 -38.47 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -1.129 . . . . 0.0 110.132 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.85 -23.38 63.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.397 -0.815 . . . . 0.0 110.019 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.502 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -77.37 -20.6 54.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 110.104 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tp -80.69 -38.01 29.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.883 . . . . 0.0 110.174 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -84.47 -69.63 0.63 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.237 -0.914 . . . . 0.0 110.185 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.837 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.551 ' N ' HD12 ' A' ' 1' ' ' ILE . 5.2 mp . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.287 0.565 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 1.1 mt -84.1 -63.12 1.4 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.161 -0.962 . . . . 0.0 110.069 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.72 -33.06 62.39 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -65.74 -32.07 73.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -1.141 . . . . 0.0 110.074 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 1' ' ' ILE . 13.8 mm -74.17 -53.72 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 35.7 m95 -57.47 -26.51 61.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.471 -0.768 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 17.9 ttmm -75.3 -25.53 57.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.102 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.07 72.14 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.466 ' HA ' HD13 ' A' ' 9' ' ' ILE . 17.1 mm -74.09 -43.18 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.347 -1.09 . . . . 0.0 110.113 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -74.11 -30.49 62.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 0.0 110.088 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -75.83 -21.43 57.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.306 -0.871 . . . . 0.0 109.959 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.997 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.9 tm? -80.75 -21.67 40.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.312 -0.868 . . . . 0.0 110.049 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -42.17 157.81 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.311 -0.868 . . . . 0.0 110.23 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.48 ' HA ' HG13 ' A' ' 5' ' ' ILE . 42.4 mm . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.277 0.56 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mt -80.48 6.47 12.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 110.179 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.85 -39.79 0.06 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -73.47 -26.53 60.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.277 -1.131 . . . . 0.0 110.192 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.48 HG13 ' HA ' ' A' ' 1' ' ' ILE . 19.1 mt -68.93 -51.94 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.973 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -58.61 -24.19 60.49 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 110.195 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 11' ' ' SER . 0.1 OUTLIER -67.73 -41.2 83.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 0.0 110.255 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.72 -26.64 40.35 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 mm -75.98 -52.41 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.205 -1.174 . . . . 0.0 110.33 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 7.6 ptpt -74.72 -21.39 59.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 0.0 110.337 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 3.5 t -74.01 -24.3 59.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.929 . . . . 0.0 110.206 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.72 -33.61 23.08 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.196 -0.94 . . . . 0.0 110.187 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -37.53 64.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 0.0 110.199 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.481 HG13 ' N ' ' A' ' 2' ' ' LEU . 45.9 pt . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.122 0.487 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' A' ' 5' ' ' ILE . 15.4 mt -64.1 -46.87 82.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.076 -1.015 . . . . 0.0 110.041 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.11 -40.62 44.43 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -59.05 -31.21 68.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.219 -1.165 . . . . 0.0 110.051 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 2' ' ' LEU . 47.9 mt -72.84 -54.3 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.388 -0.82 . . . . 0.0 110.144 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.5 -33.12 70.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.35 -0.844 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 11.1 tmtt? -75.0 -20.72 59.52 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.67 -29.69 38.51 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mt -72.69 -34.36 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -1.152 . . . . 0.0 110.327 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -76.61 -24.18 53.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 110.352 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -76.39 -23.77 54.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.247 -0.908 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.991 HD13 ' O ' ' A' ' 12' ' ' LEU . 3.4 tm? -83.9 -26.41 29.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.0 110.137 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -79.81 167.08 21.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.655 HG22 ' CG ' ' A' ' 4' ' ' LYS . 16.6 tt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.187 0.517 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.744 ' HA ' HD12 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -65.15 -45.77 83.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.278 -0.889 . . . . 0.0 109.969 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.451 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -54.11 -39.2 62.96 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.655 ' CG ' HG22 ' A' ' 1' ' ' ILE . 17.9 mmtm -58.66 -30.62 67.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.244 -1.151 . . . . 0.0 109.866 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 2' ' ' LEU . 12.8 mt -73.96 -55.54 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.0 109.879 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.603 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 14.3 m0 -57.41 -23.76 51.38 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.483 -0.76 . . . . 0.0 110.161 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 13.8 tttt -71.77 -33.59 68.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.887 . . . . 0.0 110.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.06 -26.32 37.52 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.4 mm -79.76 -26.34 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.259 -1.142 . . . . 0.0 110.198 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 17.7 ptmt -84.78 -23.34 29.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.312 -0.867 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -80.01 -26.43 39.85 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.274 -0.891 . . . . 0.0 110.211 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -84.94 -27.62 26.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 110.137 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -38.98 23.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.271 -0.893 . . . . 0.0 110.222 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 51.1 mm . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.272 0.558 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.702 HD12 ' H ' ' A' ' 2' ' ' LEU . 3.1 mp -73.82 -55.67 5.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.179 -0.951 . . . . 0.0 109.973 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.568 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -55.0 -32.82 56.76 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -61.74 -33.14 73.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -1.106 . . . . 0.0 110.026 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 2' ' ' LEU . 47.4 mt -72.95 -51.56 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.0 109.932 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.7 ' HA ' HD12 ' A' ' 9' ' ' ILE . 10.5 m0 -61.07 -39.07 88.48 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.405 -0.81 . . . . 0.0 110.104 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -26.59 64.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.398 -0.814 . . . . 0.0 110.092 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.23 -30.15 59.24 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 6' ' ' TRP . 67.7 mt -66.19 -41.08 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -1.104 . . . . 0.0 110.045 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -67.73 -22.9 65.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 0.0 110.004 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -78.71 -23.14 45.7 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.282 -0.886 . . . . 0.0 110.008 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 4.9 tp -78.6 -26.28 45.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.304 -0.873 . . . . 0.0 110.185 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -72.73 0.1 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.251 -0.906 . . . . 0.0 110.153 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.837 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.204 0.526 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.05 2.68 12.16 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.317 -0.865 . . . . 0.0 110.333 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.44 -38.45 0.1 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -65.85 -29.66 70.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.263 -1.139 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 mm -71.09 -52.67 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 110.148 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -61.44 -39.14 89.75 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.408 -0.807 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -64.88 -26.98 68.56 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.394 -0.816 . . . . 0.0 110.108 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.5 -15.51 81.32 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 9' ' ' ILE . 17.4 mm -81.99 -30.27 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -1.108 . . . . 0.0 110.216 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.77 -18.88 39.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.283 -0.886 . . . . 0.0 110.145 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.51 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -84.3 -26.07 28.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.064 179.856 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 tp -83.38 -26.08 30.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.882 . . . . 0.0 110.152 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.7 -39.77 50.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.191 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.901 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.455 HG13 ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.296 0.569 . . . . 0.0 110.221 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.4 mt -64.97 -44.89 87.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.918 . . . . 0.0 110.018 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 7' ' ' LYS . . . -55.06 -39.13 68.21 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB2' HG13 ' A' ' 1' ' ' ILE . 9.3 mmmt -59.04 -29.35 67.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -1.151 . . . . 0.0 110.008 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.3 mm -77.54 -57.63 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 0.0 110.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.464 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 33.5 m95 -60.28 -36.9 78.89 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.425 -0.797 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 11.7 ttpt -86.63 -22.56 26.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.397 -0.814 . . . . 0.0 110.182 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.92 -27.06 54.51 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.3 mm -81.26 -41.61 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.243 -1.151 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -74.53 -20.06 60.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.404 -0.81 . . . . 0.0 110.092 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.4 t -81.07 -26.76 36.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.871 . . . . 0.0 110.095 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.3 -24.66 42.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.882 . . . . 0.0 110.123 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -72.41 110.95 7.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.872 . . . . 0.0 110.172 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.034 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.23 0.538 . . . . 0.0 110.096 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.59 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 87.4 mt -74.45 -57.35 3.99 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.179 -0.951 . . . . 0.0 109.964 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.468 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -50.87 -36.87 34.38 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -60.31 -33.14 71.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -1.104 . . . . 0.0 110.091 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 1' ' ' ILE . 64.8 mt -72.37 -53.37 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.398 -0.814 . . . . 0.0 110.136 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.59 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 13.2 m0 -59.11 -28.81 66.88 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.394 -0.816 . . . . 0.0 110.369 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -82.73 -20.53 35.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.285 -0.884 . . . . 0.0 110.108 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.94 -30.52 25.83 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mm -75.61 -38.63 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.254 -1.145 . . . . 0.0 110.156 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -73.18 -24.09 60.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.888 . . . . 0.0 110.132 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 m -76.8 -20.97 55.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.248 -0.907 . . . . 0.0 110.112 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.2 -24.63 27.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.246 -0.909 . . . . 0.0 110.145 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -53.0 -171.78 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.237 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.301 0.572 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.567 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 0.9 OUTLIER -71.64 -52.14 19.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.248 -0.908 . . . . 0.0 110.002 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -55.74 -27.5 49.77 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -67.64 -35.25 78.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -1.179 . . . . 0.0 110.135 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.3 mt -74.02 -51.84 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.404 -0.81 . . . . 0.0 110.127 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 34.9 m95 -58.91 -30.86 68.12 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.388 -0.82 . . . . 0.0 110.196 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 11' ' ' SER . 13.9 tttm -67.1 -28.46 68.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 110.14 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.41 -25.26 74.87 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.5 mt -75.07 -62.28 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -1.133 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -8.92 38.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.407 -0.808 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 2.7 m -80.43 -33.3 37.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.195 -0.941 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.02 -22.5 29.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.324 -0.86 . . . . 0.0 110.196 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -45.31 -84.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.199 -0.938 . . . . 0.0 110.289 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.586 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.1 mp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.321 0.581 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 7' ' ' LYS . . . -81.76 -30.84 34.44 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -32.35 68.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -1.134 . . . . 0.0 110.002 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 mm -77.68 -56.79 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.586 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.7 m0 -60.77 -31.07 70.43 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.392 -0.817 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.502 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 2.2 ttpm? -89.33 -28.56 19.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.344 -0.847 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.85 -28.17 55.15 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mt -85.14 -40.89 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.275 -1.132 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -70.95 -23.48 62.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.306 -0.871 . . . . 0.0 110.089 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 3.1 m -82.63 -24.88 33.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.226 -0.921 . . . . 0.0 109.968 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.41 -21.38 30.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.287 -0.883 . . . . 0.0 110.106 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.897 . . . . 0.0 110.198 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.587 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.5 mp . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.295 0.569 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.28 -18.98 59.64 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.78 -34.39 74.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.195 -1.179 . . . . 0.0 110.071 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.9 mm -79.07 -54.37 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 0.0 110.054 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.587 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.6 m0 -58.74 -31.55 68.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.433 -0.792 . . . . 0.0 110.21 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -30.21 68.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.362 -0.836 . . . . 0.0 110.098 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.56 -17.19 78.08 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.27 -66.03 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -1.14 . . . . 0.0 110.133 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -13.42 34.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.383 -0.823 . . . . 0.0 110.262 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 t -83.77 -26.65 29.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.244 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -84.82 -24.08 28.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 110.238 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.339 -0.851 . . . . 0.0 110.252 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.592 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.6 mt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.284 0.564 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.0 -24.1 77.45 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -60.9 -37.61 82.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -1.133 . . . . 0.0 110.006 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 2' ' ' LEU . 3.8 mt -71.97 -56.52 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.845 . . . . 0.0 109.699 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.592 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.0 m0 -60.37 -22.06 62.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.513 -0.742 . . . . 0.0 110.046 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -70.46 -26.98 63.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.272 -0.892 . . . . 0.0 109.996 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.71 -31.06 63.02 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 mt -83.61 -26.94 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.363 -1.081 . . . . 0.0 110.103 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -77.64 -33.78 53.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.0 110.171 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m -77.34 -31.55 54.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.844 . . . . 0.0 110.035 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -85.07 -28.04 25.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.0 110.161 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.29 -0.881 . . . . 0.0 110.23 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.19 0.519 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.27 -39.02 0.07 OUTLIER Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -76.35 -26.71 55.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -1.166 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.3 mm -70.44 -51.28 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 110.043 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -67.13 -26.79 66.86 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.471 -0.768 . . . . 0.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 4.7 tttt -65.35 -28.01 68.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.223 -0.923 . . . . 0.0 110.386 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.73 -29.3 74.8 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 mm -75.27 -39.64 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.184 -1.186 . . . . 0.0 110.139 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -80.91 -27.31 36.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.374 -0.829 . . . . 0.0 110.202 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.4 t -63.85 -38.7 92.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -0.904 . . . . 0.0 110.195 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -13.96 48.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.38 -0.825 . . . . 0.0 110.115 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.247 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 17.9 mt . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.322 0.582 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.85 -35.03 80.72 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -60.63 -29.2 69.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -1.175 . . . . 0.0 110.068 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 5' ' ' ILE . 28.1 mm -79.49 -55.35 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.342 -0.849 . . . . 0.0 110.016 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 32.6 m95 -61.3 -35.89 78.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.486 -0.759 . . . . 0.0 110.22 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HG2' ' HE3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -84.49 -19.34 33.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.312 -0.867 . . . . 0.0 110.181 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.98 -28.34 34.76 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.0 mt -79.51 -36.92 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -1.179 . . . . 0.0 110.301 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 11' ' ' SER . 11.8 pttp -84.26 -23.46 30.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 110.324 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 28.8 t -72.09 -37.42 69.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.201 -0.937 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.23 -38.73 18.59 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.381 -0.825 . . . . 0.0 110.095 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.452 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 7.7 t80 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.171 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 2' ' ' LEU . 31.8 mt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.229 0.537 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -138.11 -37.77 0.14 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -78.54 -27.02 45.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.267 -1.137 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 mm -70.8 -51.31 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.0 110.219 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -64.09 -35.09 79.6 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.356 -0.84 . . . . 0.0 110.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -64.85 -17.45 64.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.438 -0.789 . . . . 0.0 110.148 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.66 -49.57 36.03 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mt -70.35 -23.7 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -1.104 . . . . 0.0 110.042 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -72.73 -28.9 62.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 0.0 110.128 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -79.34 -23.48 43.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.855 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.94 -26.13 27.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.28 -0.888 . . . . 0.0 110.162 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 0.0 110.129 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.645 HD23 ' HE1' ' A' ' 6' ' ' TRP . 2.8 mt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.191 0.52 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 7' ' ' LYS . . . -57.31 -21.62 41.12 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -85.12 -34.95 22.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -1.13 . . . . 0.0 110.397 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 5' ' ' ILE . 18.9 mm -82.85 -54.99 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.327 -0.858 . . . . 0.0 110.406 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.645 ' HE1' HD23 ' A' ' 2' ' ' LEU . 29.3 m95 -62.22 -19.23 62.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.384 -0.822 . . . . 0.0 110.421 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -86.25 -24.13 26.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.94 . . . . 0.0 110.203 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.4 -30.61 27.11 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -80.84 -37.51 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.295 -1.121 . . . . 0.0 110.118 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.68 -22.53 59.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.177 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -26.78 39.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.296 -0.877 . . . . 0.0 110.194 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.1 -18.38 34.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.197 -0.939 . . . . 0.0 110.17 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.273 -0.892 . . . . 0.0 110.19 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 3.6 mt . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.189 0.518 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.73 -22.4 40.1 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -74.16 -31.74 62.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.199 -1.177 . . . . 0.0 110.119 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 9' ' ' ILE . 19.2 mm -76.73 -50.82 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.338 -0.852 . . . . 0.0 110.025 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 33.3 m95 -60.68 -37.1 80.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.469 -0.769 . . . . 0.0 110.212 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -70.8 -28.34 64.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -0.817 . . . . 0.0 110.11 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.98 -25.82 63.57 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.439 ' HA ' HD13 ' A' ' 9' ' ' ILE . 20.7 mm -68.53 -48.74 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -1.101 . . . . 0.0 110.184 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -23.73 65.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.462 -0.773 . . . . 0.0 110.133 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m -80.63 -22.55 40.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 110.176 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -29.78 24.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.213 -0.93 . . . . 0.0 110.137 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.874 . . . . 0.0 110.226 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 82.1 mt . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.305 0.574 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -52.44 -39.53 52.68 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.33 -30.88 67.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.257 -1.143 . . . . 0.0 109.937 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 14.4 mm -74.21 -56.58 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.866 . . . . 0.0 109.948 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 12.2 m0 -60.13 -32.26 70.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.371 -0.831 . . . . 0.0 110.354 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.534 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 8.5 tttt -69.58 -25.99 64.25 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.087 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.15 -23.21 78.08 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 23.0 mm -78.09 -36.28 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -1.157 . . . . 0.0 110.211 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.534 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -76.67 -16.66 59.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.346 -0.846 . . . . 0.0 110.082 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.0 m -78.85 -46.99 17.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.319 -0.863 . . . . 0.0 110.164 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.7 mt -85.16 -22.93 28.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.479 -0.763 . . . . 0.0 110.146 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 45.8 t80 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.284 -0.885 . . . . 0.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 62.7 mt . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.299 0.571 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.92 -30.51 69.97 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -34.21 76.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.322 -1.105 . . . . 0.0 110.059 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.927 ' O ' HD12 ' A' ' 9' ' ' ILE . 43.3 mt -72.49 -55.63 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.367 -0.833 . . . . 0.0 109.798 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 33.6 m95 -59.43 -28.31 66.83 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 110.236 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 9.7 tttt -86.72 -20.89 27.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.306 -0.871 . . . . 0.0 110.15 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.9 -35.09 16.65 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.927 HD12 ' O ' ' A' ' 5' ' ' ILE . 4.5 mt -74.89 -29.58 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.331 -1.1 . . . . 0.0 110.174 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 12.1 ptmm? -85.12 -26.33 26.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 110.257 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.11 -37.12 78.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.247 -0.908 . . . . 0.0 110.214 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 12' ' ' LEU . 3.4 tm? -85.06 -39.96 17.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.296 -0.877 . . . . 0.0 110.25 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.302 -0.874 . . . . 0.0 110.204 179.898 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.603 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 2.0 mp . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.216 0.532 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.47 -27.15 40.26 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -68.19 -36.16 79.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -1.095 . . . . 0.0 110.109 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.5 mt -69.96 -52.38 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.267 -0.896 . . . . 0.0 109.899 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.603 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 11.7 m0 -60.89 -37.62 82.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.417 -0.802 . . . . 0.0 110.143 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 tppp? -79.62 -25.67 41.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.457 -0.777 . . . . 0.0 110.048 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.55 -29.22 53.35 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.1 mm -72.55 -38.47 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -1.129 . . . . 0.0 110.132 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.85 -23.38 63.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.397 -0.815 . . . . 0.0 110.019 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.502 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -77.37 -20.6 54.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 110.104 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tp -80.69 -38.01 29.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.883 . . . . 0.0 110.174 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.237 -0.914 . . . . 0.0 110.185 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 1.1 mt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.303 0.573 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.72 -33.06 62.39 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -65.74 -32.07 73.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -1.141 . . . . 0.0 110.074 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 5' ' ' ILE . 13.8 mm -74.17 -53.72 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 35.7 m95 -57.47 -26.51 61.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.471 -0.768 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 17.9 ttmm -75.3 -25.53 57.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.102 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.07 72.14 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.466 ' HA ' HD13 ' A' ' 9' ' ' ILE . 17.1 mm -74.09 -43.18 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.347 -1.09 . . . . 0.0 110.113 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -74.11 -30.49 62.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 0.0 110.088 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -75.83 -21.43 57.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.306 -0.871 . . . . 0.0 109.959 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.997 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.9 tm? -80.75 -21.67 40.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.312 -0.868 . . . . 0.0 110.049 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.311 -0.868 . . . . 0.0 110.23 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.314 0.578 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.85 -39.79 0.06 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -73.47 -26.53 60.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.277 -1.131 . . . . 0.0 110.192 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.1 mt -68.93 -51.94 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.973 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -58.61 -24.19 60.49 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 110.195 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 11' ' ' SER . 0.1 OUTLIER -67.73 -41.2 83.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 0.0 110.255 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.72 -26.64 40.35 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 mm -75.98 -52.41 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.205 -1.174 . . . . 0.0 110.33 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 7.6 ptpt -74.72 -21.39 59.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 0.0 110.337 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 3.5 t -74.01 -24.3 59.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.929 . . . . 0.0 110.206 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.72 -33.61 23.08 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.196 -0.94 . . . . 0.0 110.187 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 0.0 110.199 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' A' ' 5' ' ' ILE . 15.4 mt . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.347 0.594 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.11 -40.62 44.43 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -59.05 -31.21 68.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.219 -1.165 . . . . 0.0 110.051 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 2' ' ' LEU . 47.9 mt -72.84 -54.3 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.388 -0.82 . . . . 0.0 110.144 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.5 -33.12 70.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.35 -0.844 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 11.1 tmtt? -75.0 -20.72 59.52 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.67 -29.69 38.51 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mt -72.69 -34.36 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -1.152 . . . . 0.0 110.327 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -76.61 -24.18 53.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 110.352 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -76.39 -23.77 54.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.247 -0.908 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.991 HD13 ' O ' ' A' ' 12' ' ' LEU . 3.4 tm? -83.9 -26.41 29.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.0 110.137 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.744 ' HA ' HD12 ' A' ' 5' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.261 0.553 . . . . 0.0 109.969 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.451 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -54.11 -39.2 62.96 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -58.66 -30.62 67.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.244 -1.151 . . . . 0.0 109.866 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 2' ' ' LEU . 12.8 mt -73.96 -55.54 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.0 109.879 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.603 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 14.3 m0 -57.41 -23.76 51.38 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.483 -0.76 . . . . 0.0 110.161 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 13.8 tttt -71.77 -33.59 68.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.887 . . . . 0.0 110.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.06 -26.32 37.52 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.4 mm -79.76 -26.34 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.259 -1.142 . . . . 0.0 110.198 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 17.7 ptmt -84.78 -23.34 29.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.312 -0.867 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -80.01 -26.43 39.85 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.274 -0.891 . . . . 0.0 110.211 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -84.94 -27.62 26.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 110.137 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.271 -0.893 . . . . 0.0 110.222 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.599 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 3.1 mp . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.286 0.565 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.568 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -55.0 -32.82 56.76 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -61.74 -33.14 73.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -1.106 . . . . 0.0 110.026 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 2' ' ' LEU . 47.4 mt -72.95 -51.56 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.0 109.932 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.7 ' HA ' HD12 ' A' ' 9' ' ' ILE . 10.5 m0 -61.07 -39.07 88.48 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.405 -0.81 . . . . 0.0 110.104 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -26.59 64.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.398 -0.814 . . . . 0.0 110.092 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.23 -30.15 59.24 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 6' ' ' TRP . 67.7 mt -66.19 -41.08 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -1.104 . . . . 0.0 110.045 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -67.73 -22.9 65.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 0.0 110.004 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -78.71 -23.14 45.7 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.282 -0.886 . . . . 0.0 110.008 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.405 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 4.9 tp -78.6 -26.28 45.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.304 -0.873 . . . . 0.0 110.185 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.251 -0.906 . . . . 0.0 110.153 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.118 0.485 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.44 -38.45 0.1 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -65.85 -29.66 70.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.263 -1.139 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 mm -71.09 -52.67 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 110.148 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -61.44 -39.14 89.75 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.408 -0.807 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -64.88 -26.98 68.56 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.394 -0.816 . . . . 0.0 110.108 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.5 -15.51 81.32 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 9' ' ' ILE . 17.4 mm -81.99 -30.27 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -1.108 . . . . 0.0 110.216 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.77 -18.88 39.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.283 -0.886 . . . . 0.0 110.145 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.51 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -84.3 -26.07 28.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.064 179.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 tp -83.38 -26.08 30.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.882 . . . . 0.0 110.152 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.191 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.326 0.584 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 7' ' ' LYS . . . -55.06 -39.13 68.21 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -59.04 -29.35 67.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -1.151 . . . . 0.0 110.008 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.3 mm -77.54 -57.63 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 0.0 110.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.464 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 33.5 m95 -60.28 -36.9 78.89 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.425 -0.797 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 11.7 ttpt -86.63 -22.56 26.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.397 -0.814 . . . . 0.0 110.182 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.92 -27.06 54.51 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.3 mm -81.26 -41.61 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.243 -1.151 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -74.53 -20.06 60.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.404 -0.81 . . . . 0.0 110.092 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.4 t -81.07 -26.76 36.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.871 . . . . 0.0 110.095 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.3 -24.66 42.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.882 . . . . 0.0 110.123 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.872 . . . . 0.0 110.172 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.59 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 87.4 mt . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.345 0.593 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.468 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -50.87 -36.87 34.38 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -60.31 -33.14 71.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -1.104 . . . . 0.0 110.091 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 5' ' ' ILE . 64.8 mt -72.37 -53.37 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.398 -0.814 . . . . 0.0 110.136 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.59 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 13.2 m0 -59.11 -28.81 66.88 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.394 -0.816 . . . . 0.0 110.369 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -82.73 -20.53 35.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.285 -0.884 . . . . 0.0 110.108 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.94 -30.52 25.83 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mm -75.61 -38.63 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.254 -1.145 . . . . 0.0 110.156 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -73.18 -24.09 60.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.888 . . . . 0.0 110.132 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 m -76.8 -20.97 55.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.248 -0.907 . . . . 0.0 110.112 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.2 -24.63 27.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.246 -0.909 . . . . 0.0 110.145 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.237 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.567 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.284 0.564 . . . . 0.0 110.002 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -55.74 -27.5 49.77 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -67.64 -35.25 78.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -1.179 . . . . 0.0 110.135 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.3 mt -74.02 -51.84 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.404 -0.81 . . . . 0.0 110.127 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 34.9 m95 -58.91 -30.86 68.12 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.388 -0.82 . . . . 0.0 110.196 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 11' ' ' SER . 13.9 tttm -67.1 -28.46 68.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 110.14 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.41 -25.26 74.87 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.5 mt -75.07 -62.28 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -1.133 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -8.92 38.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.407 -0.808 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 2.7 m -80.43 -33.3 37.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.195 -0.941 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.02 -22.5 29.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.324 -0.86 . . . . 0.0 110.196 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.199 -0.938 . . . . 0.0 110.289 179.901 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 1' ' ' ILE . 7.1 mt . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.173 0.511 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.586 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.1 mp -65.15 -44.42 88.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.199 -0.938 . . . . 0.0 110.139 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 7' ' ' LYS . . . -81.76 -30.84 34.44 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -32.35 68.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -1.134 . . . . 0.0 110.002 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 mm -77.68 -56.79 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.586 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.7 m0 -60.77 -31.07 70.43 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.392 -0.817 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.502 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 2.2 ttpm? -89.33 -28.56 19.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.344 -0.847 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.85 -28.17 55.15 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mt -85.14 -40.89 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.275 -1.132 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -70.95 -23.48 62.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.306 -0.871 . . . . 0.0 110.089 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 3.1 m -82.63 -24.88 33.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.226 -0.921 . . . . 0.0 109.968 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.41 -21.38 30.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.287 -0.883 . . . . 0.0 110.106 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.0 -31.08 0.48 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.897 . . . . 0.0 110.198 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 2.4 mp . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.252 0.549 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.587 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.5 mp -60.56 -36.94 79.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 109.927 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.28 -18.98 59.64 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -60.78 -34.39 74.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.195 -1.179 . . . . 0.0 110.071 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.9 mm -79.07 -54.37 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 0.0 110.054 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.587 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.6 m0 -58.74 -31.55 68.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.433 -0.792 . . . . 0.0 110.21 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -30.21 68.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.362 -0.836 . . . . 0.0 110.098 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.56 -17.19 78.08 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.27 -66.03 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -1.14 . . . . 0.0 110.133 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -13.42 34.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.383 -0.823 . . . . 0.0 110.262 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 t -83.77 -26.65 29.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.244 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -84.82 -24.08 28.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 110.238 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -75.44 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.339 -0.851 . . . . 0.0 110.252 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.88 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 24.0 mt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.237 0.542 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.592 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 1.6 mt -64.51 -43.58 93.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 110.068 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.0 -24.1 77.45 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 12.8 mmtm -60.9 -37.61 82.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -1.133 . . . . 0.0 110.006 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 2' ' ' LEU . 3.8 mt -71.97 -56.52 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.845 . . . . 0.0 109.699 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.592 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 12.0 m0 -60.37 -22.06 62.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.513 -0.742 . . . . 0.0 110.046 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -70.46 -26.98 63.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.272 -0.892 . . . . 0.0 109.996 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.71 -31.06 63.02 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 mt -83.61 -26.94 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.363 -1.081 . . . . 0.0 110.103 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -77.64 -33.78 53.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.0 110.171 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m -77.34 -31.55 54.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.844 . . . . 0.0 110.035 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -85.07 -28.04 25.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.0 110.161 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -65.67 114.76 5.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.29 -0.881 . . . . 0.0 110.23 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.93 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.236 0.541 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 mt -82.94 11.65 5.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.313 -0.867 . . . . 0.0 110.238 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.27 -39.02 0.07 OUTLIER Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -76.35 -26.71 55.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -1.166 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.3 mm -70.44 -51.28 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 110.043 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -67.13 -26.79 66.86 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.471 -0.768 . . . . 0.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 4.7 tttt -65.35 -28.01 68.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.223 -0.923 . . . . 0.0 110.386 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.73 -29.3 74.8 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 mm -75.27 -39.64 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.184 -1.186 . . . . 0.0 110.139 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -80.91 -27.31 36.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.374 -0.829 . . . . 0.0 110.202 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.4 t -63.85 -38.7 92.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -0.904 . . . . 0.0 110.195 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -13.96 48.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.38 -0.825 . . . . 0.0 110.115 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -82.44 153.53 25.61 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.247 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.89 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 1' ' ' ILE . 5.8 pt . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.255 0.55 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 17.9 mt -69.56 -49.2 56.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.283 -0.886 . . . . 0.0 110.211 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.85 -35.03 80.72 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -60.63 -29.2 69.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -1.175 . . . . 0.0 110.068 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 5' ' ' ILE . 28.1 mm -79.49 -55.35 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.342 -0.849 . . . . 0.0 110.016 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 32.6 m95 -61.3 -35.89 78.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.486 -0.759 . . . . 0.0 110.22 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HG2' ' HE3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -84.49 -19.34 33.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.312 -0.867 . . . . 0.0 110.181 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.98 -28.34 34.76 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.0 mt -79.51 -36.92 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -1.179 . . . . 0.0 110.301 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 11' ' ' SER . 11.8 pttp -84.26 -23.46 30.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 110.324 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 28.8 t -72.09 -37.42 69.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.201 -0.937 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.23 -38.73 18.59 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.381 -0.825 . . . . 0.0 110.095 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.452 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 7.7 t80 -85.21 -15.07 44.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.171 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.902 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.432 HG22 ' HG ' ' A' ' 2' ' ' LEU . 4.5 mt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.241 0.543 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 2' ' ' LEU . 31.8 mt -84.73 14.12 5.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -138.11 -37.77 0.14 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -78.54 -27.02 45.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.267 -1.137 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.6 mm -70.8 -51.31 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.0 110.219 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -64.09 -35.09 79.6 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.356 -0.84 . . . . 0.0 110.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -64.85 -17.45 64.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.438 -0.789 . . . . 0.0 110.148 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.66 -49.57 36.03 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mt -70.35 -23.7 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -1.104 . . . . 0.0 110.042 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -72.73 -28.9 62.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 0.0 110.128 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -79.34 -23.48 43.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.855 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 1.7 mt -84.94 -26.13 27.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.28 -0.888 . . . . 0.0 110.162 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.53 70.54 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 0.0 110.129 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.474 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.927 -1.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.462 ' O ' ' CG1' ' A' ' 5' ' ' ILE . 18.8 pt . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.208 0.528 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.645 HD23 ' HE1' ' A' ' 6' ' ' TRP . 2.8 mt -85.23 -64.87 1.08 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 110.128 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 7' ' ' LYS . . . -57.31 -21.62 41.12 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -85.12 -34.95 22.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -1.13 . . . . 0.0 110.397 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 1' ' ' ILE . 18.9 mm -82.85 -54.99 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.327 -0.858 . . . . 0.0 110.406 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.645 ' HE1' HD23 ' A' ' 2' ' ' LEU . 29.3 m95 -62.22 -19.23 62.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.384 -0.822 . . . . 0.0 110.421 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -86.25 -24.13 26.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.94 . . . . 0.0 110.203 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.4 -30.61 27.11 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -80.84 -37.51 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.295 -1.121 . . . . 0.0 110.118 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.68 -22.53 59.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.177 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -26.78 39.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.296 -0.877 . . . . 0.0 110.194 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.1 -18.38 34.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.197 -0.939 . . . . 0.0 110.17 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -78.06 -174.25 3.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.273 -0.892 . . . . 0.0 110.19 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.862 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.248 0.547 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 3.6 mt -69.73 -49.48 52.74 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.0 110.128 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.73 -22.4 40.1 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -74.16 -31.74 62.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.199 -1.177 . . . . 0.0 110.119 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 9' ' ' ILE . 19.2 mm -76.73 -50.82 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.338 -0.852 . . . . 0.0 110.025 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 33.3 m95 -60.68 -37.1 80.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.469 -0.769 . . . . 0.0 110.212 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -70.8 -28.34 64.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -0.817 . . . . 0.0 110.11 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.98 -25.82 63.57 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' HA ' HD13 ' A' ' 9' ' ' ILE . 20.7 mm -68.53 -48.74 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -1.101 . . . . 0.0 110.184 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -23.73 65.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.462 -0.773 . . . . 0.0 110.133 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m -80.63 -22.55 40.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 110.176 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -29.78 24.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.213 -0.93 . . . . 0.0 110.137 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -49.7 149.66 2.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.874 . . . . 0.0 110.226 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.915 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.322 0.582 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 82.1 mt -67.27 -48.56 67.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.208 -0.933 . . . . 0.0 109.991 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -52.44 -39.53 52.68 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.33 -30.88 67.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.257 -1.143 . . . . 0.0 109.937 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 14.4 mm -74.21 -56.58 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.866 . . . . 0.0 109.948 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 12.2 m0 -60.13 -32.26 70.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.371 -0.831 . . . . 0.0 110.354 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.534 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 8.5 tttt -69.58 -25.99 64.25 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.087 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.15 -23.21 78.08 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 23.0 mm -78.09 -36.28 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -1.157 . . . . 0.0 110.211 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.534 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -76.67 -16.66 59.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.346 -0.846 . . . . 0.0 110.082 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.0 m -78.85 -46.99 17.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.319 -0.863 . . . . 0.0 110.164 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.7 mt -85.16 -22.93 28.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.479 -0.763 . . . . 0.0 110.146 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 45.8 t80 -84.4 -34.04 23.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.284 -0.885 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.947 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 33.3 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.199 0.524 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 62.7 mt -66.19 -46.29 77.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.312 -0.867 . . . . 0.0 110.101 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.92 -30.51 69.97 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 0.5 OUTLIER -62.37 -34.21 76.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.322 -1.105 . . . . 0.0 110.059 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.927 ' O ' HD12 ' A' ' 9' ' ' ILE . 43.3 mt -72.49 -55.63 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.367 -0.833 . . . . 0.0 109.798 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 33.6 m95 -59.43 -28.31 66.83 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 110.236 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 9.7 tttt -86.72 -20.89 27.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.306 -0.871 . . . . 0.0 110.15 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.9 -35.09 16.65 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.927 HD12 ' O ' ' A' ' 5' ' ' ILE . 4.5 mt -74.89 -29.58 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.331 -1.1 . . . . 0.0 110.174 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 12.1 ptmm? -85.12 -26.33 26.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 110.257 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.11 -37.12 78.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.247 -0.908 . . . . 0.0 110.214 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 12' ' ' LEU . 3.4 tm? -85.06 -39.96 17.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.296 -0.877 . . . . 0.0 110.25 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -65.72 75.92 0.07 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.302 -0.874 . . . . 0.0 110.204 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.483 HG13 ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.342 0.591 . . . . 0.0 110.215 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.633 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.0 mp -69.77 -50.73 40.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.178 -0.952 . . . . 0.0 110.002 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.47 -27.15 40.26 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.483 ' HB2' HG13 ' A' ' 1' ' ' ILE . 24.2 mmtt -68.19 -36.16 79.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -1.095 . . . . 0.0 110.109 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.5 mt -69.96 -52.38 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.267 -0.896 . . . . 0.0 109.899 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.603 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 11.7 m0 -60.89 -37.62 82.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.417 -0.802 . . . . 0.0 110.143 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 tppp? -79.62 -25.67 41.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.457 -0.777 . . . . 0.0 110.048 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.55 -29.22 53.35 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.1 mm -72.55 -38.47 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -1.129 . . . . 0.0 110.132 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.85 -23.38 63.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.397 -0.815 . . . . 0.0 110.019 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.502 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -77.37 -20.6 54.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 110.104 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tp -80.69 -38.01 29.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.883 . . . . 0.0 110.174 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -84.47 -69.63 0.63 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.237 -0.914 . . . . 0.0 110.185 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.837 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.551 ' N ' HD12 ' A' ' 1' ' ' ILE . 5.2 mp . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.287 0.565 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 1.1 mt -84.1 -63.12 1.4 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.161 -0.962 . . . . 0.0 110.069 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.72 -33.06 62.39 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -65.74 -32.07 73.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -1.141 . . . . 0.0 110.074 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 1' ' ' ILE . 13.8 mm -74.17 -53.72 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 35.7 m95 -57.47 -26.51 61.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.471 -0.768 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 17.9 ttmm -75.3 -25.53 57.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.102 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.07 72.14 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.466 ' HA ' HD13 ' A' ' 9' ' ' ILE . 17.1 mm -74.09 -43.18 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.347 -1.09 . . . . 0.0 110.113 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -74.11 -30.49 62.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 0.0 110.088 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -75.83 -21.43 57.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.306 -0.871 . . . . 0.0 109.959 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.997 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.9 tm? -80.75 -21.67 40.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.312 -0.868 . . . . 0.0 110.049 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -42.17 157.81 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.311 -0.868 . . . . 0.0 110.23 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.48 ' HA ' HG13 ' A' ' 5' ' ' ILE . 42.4 mm . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.277 0.56 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mt -80.48 6.47 12.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 110.179 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.85 -39.79 0.06 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -73.47 -26.53 60.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.277 -1.131 . . . . 0.0 110.192 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.48 HG13 ' HA ' ' A' ' 1' ' ' ILE . 19.1 mt -68.93 -51.94 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.973 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -58.61 -24.19 60.49 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 110.195 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 11' ' ' SER . 0.1 OUTLIER -67.73 -41.2 83.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 0.0 110.255 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.72 -26.64 40.35 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 mm -75.98 -52.41 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.205 -1.174 . . . . 0.0 110.33 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 7.6 ptpt -74.72 -21.39 59.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 0.0 110.337 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 3.5 t -74.01 -24.3 59.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.929 . . . . 0.0 110.206 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.72 -33.61 23.08 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.196 -0.94 . . . . 0.0 110.187 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -37.53 64.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 0.0 110.199 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.481 HG13 ' N ' ' A' ' 2' ' ' LEU . 45.9 pt . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.122 0.487 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' A' ' 5' ' ' ILE . 15.4 mt -64.1 -46.87 82.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.076 -1.015 . . . . 0.0 110.041 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.11 -40.62 44.43 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -59.05 -31.21 68.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.219 -1.165 . . . . 0.0 110.051 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 2' ' ' LEU . 47.9 mt -72.84 -54.3 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.388 -0.82 . . . . 0.0 110.144 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.5 -33.12 70.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.35 -0.844 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 11.1 tmtt? -75.0 -20.72 59.52 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.67 -29.69 38.51 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mt -72.69 -34.36 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -1.152 . . . . 0.0 110.327 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -76.61 -24.18 53.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 110.352 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -76.39 -23.77 54.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.247 -0.908 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.991 HD13 ' O ' ' A' ' 12' ' ' LEU . 3.4 tm? -83.9 -26.41 29.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.0 110.137 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -79.81 167.08 21.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.655 HG22 ' CG ' ' A' ' 4' ' ' LYS . 16.6 tt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.187 0.517 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.744 ' HA ' HD12 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -65.15 -45.77 83.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.278 -0.889 . . . . 0.0 109.969 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.451 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -54.11 -39.2 62.96 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.655 ' CG ' HG22 ' A' ' 1' ' ' ILE . 17.9 mmtm -58.66 -30.62 67.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.244 -1.151 . . . . 0.0 109.866 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 2' ' ' LEU . 12.8 mt -73.96 -55.54 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.0 109.879 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.603 ' CZ2' ' HB3' ' A' ' 2' ' ' LEU . 14.3 m0 -57.41 -23.76 51.38 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.483 -0.76 . . . . 0.0 110.161 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 13.8 tttt -71.77 -33.59 68.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.887 . . . . 0.0 110.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.06 -26.32 37.52 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.4 mm -79.76 -26.34 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.259 -1.142 . . . . 0.0 110.198 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 17.7 ptmt -84.78 -23.34 29.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.312 -0.867 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -80.01 -26.43 39.85 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.274 -0.891 . . . . 0.0 110.211 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -84.94 -27.62 26.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 110.137 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -38.98 23.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.271 -0.893 . . . . 0.0 110.222 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 51.1 mm . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.272 0.558 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.702 HD12 ' H ' ' A' ' 2' ' ' LEU . 3.1 mp -73.82 -55.67 5.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.179 -0.951 . . . . 0.0 109.973 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.568 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -55.0 -32.82 56.76 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -61.74 -33.14 73.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -1.106 . . . . 0.0 110.026 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 2' ' ' LEU . 47.4 mt -72.95 -51.56 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.0 109.932 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.7 ' HA ' HD12 ' A' ' 9' ' ' ILE . 10.5 m0 -61.07 -39.07 88.48 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.405 -0.81 . . . . 0.0 110.104 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -26.59 64.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.398 -0.814 . . . . 0.0 110.092 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.23 -30.15 59.24 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 6' ' ' TRP . 67.7 mt -66.19 -41.08 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -1.104 . . . . 0.0 110.045 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -67.73 -22.9 65.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 0.0 110.004 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -78.71 -23.14 45.7 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.282 -0.886 . . . . 0.0 110.008 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 4.9 tp -78.6 -26.28 45.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.304 -0.873 . . . . 0.0 110.185 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -72.73 0.1 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.251 -0.906 . . . . 0.0 110.153 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.837 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.204 0.526 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.05 2.68 12.16 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.317 -0.865 . . . . 0.0 110.333 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.44 -38.45 0.1 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -65.85 -29.66 70.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.263 -1.139 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 mm -71.09 -52.67 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 110.148 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -61.44 -39.14 89.75 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.408 -0.807 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -64.88 -26.98 68.56 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.394 -0.816 . . . . 0.0 110.108 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.5 -15.51 81.32 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 9' ' ' ILE . 17.4 mm -81.99 -30.27 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -1.108 . . . . 0.0 110.216 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.77 -18.88 39.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.283 -0.886 . . . . 0.0 110.145 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.51 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -84.3 -26.07 28.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.064 179.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 tp -83.38 -26.08 30.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.882 . . . . 0.0 110.152 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.7 -39.77 50.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.191 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.901 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.455 HG13 ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.296 0.569 . . . . 0.0 110.221 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.4 mt -64.97 -44.89 87.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.918 . . . . 0.0 110.018 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 7' ' ' LYS . . . -55.06 -39.13 68.21 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB2' HG13 ' A' ' 1' ' ' ILE . 9.3 mmmt -59.04 -29.35 67.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -1.151 . . . . 0.0 110.008 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.3 mm -77.54 -57.63 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 0.0 110.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.464 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 33.5 m95 -60.28 -36.9 78.89 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.425 -0.797 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 11.7 ttpt -86.63 -22.56 26.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.397 -0.814 . . . . 0.0 110.182 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.92 -27.06 54.51 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.3 mm -81.26 -41.61 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.243 -1.151 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -74.53 -20.06 60.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.404 -0.81 . . . . 0.0 110.092 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.4 t -81.07 -26.76 36.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.871 . . . . 0.0 110.095 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.3 -24.66 42.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.882 . . . . 0.0 110.123 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -72.41 110.95 7.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.872 . . . . 0.0 110.172 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.034 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.23 0.538 . . . . 0.0 110.096 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.59 ' HB3' ' CH2' ' A' ' 6' ' ' TRP . 87.4 mt -74.45 -57.35 3.99 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.179 -0.951 . . . . 0.0 109.964 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.468 ' HA2' ' CE3' ' A' ' 6' ' ' TRP . . . -50.87 -36.87 34.38 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -60.31 -33.14 71.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -1.104 . . . . 0.0 110.091 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 1' ' ' ILE . 64.8 mt -72.37 -53.37 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.398 -0.814 . . . . 0.0 110.136 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.59 ' CH2' ' HB3' ' A' ' 2' ' ' LEU . 13.2 m0 -59.11 -28.81 66.88 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.394 -0.816 . . . . 0.0 110.369 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -82.73 -20.53 35.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.285 -0.884 . . . . 0.0 110.108 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.94 -30.52 25.83 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mm -75.61 -38.63 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.254 -1.145 . . . . 0.0 110.156 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -73.18 -24.09 60.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.888 . . . . 0.0 110.132 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 m -76.8 -20.97 55.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.248 -0.907 . . . . 0.0 110.112 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.2 -24.63 27.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.246 -0.909 . . . . 0.0 110.145 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -53.0 -171.78 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.237 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.301 0.572 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.567 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 0.9 OUTLIER -71.64 -52.14 19.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.248 -0.908 . . . . 0.0 110.002 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 7' ' ' LYS . . . -55.74 -27.5 49.77 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -67.64 -35.25 78.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -1.179 . . . . 0.0 110.135 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.3 mt -74.02 -51.84 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.404 -0.81 . . . . 0.0 110.127 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 34.9 m95 -58.91 -30.86 68.12 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.388 -0.82 . . . . 0.0 110.196 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 11' ' ' SER . 13.9 tttm -67.1 -28.46 68.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 110.14 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.41 -25.26 74.87 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.5 mt -75.07 -62.28 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -1.133 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -8.92 38.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.407 -0.808 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 2.7 m -80.43 -33.3 37.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.195 -0.941 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.02 -22.5 29.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.324 -0.86 . . . . 0.0 110.196 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -45.31 -84.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.199 -0.938 . . . . 0.0 110.289 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_